smiles
stringlengths 185
283
| yield
float64 0
100
| canonical_smiles
stringclasses 15
values | others_smiles
stringclasses 264
values | mapped_smiles
stringclasses 15
values |
|---|---|---|---|---|
Brc1ccccn1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 28.478495
|
Brc1ccccn1.Cc1ccc(N)cc1>>Cc1ccc(Nc2ccccn2)cc1
|
CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.COc1ccc(OC)c([PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
Br[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
Ic1ccccn1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 33.330652
|
Cc1ccc(N)cc1.Ic1ccccn1>>Cc1ccc(Nc2ccccn2)cc1
|
CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.COc1ccc(OC)c([PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
Clc1cccnc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 6.753074
|
Cc1ccc(N)cc1.Clc1cccnc1>>Cc1ccc(Nc2cccnc2)cc1
|
CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.COc1ccc(OC)c([PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
Brc1cccnc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 15.061369
|
Brc1cccnc1.Cc1ccc(N)cc1>>Cc1ccc(Nc2cccnc2)cc1
|
CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.COc1ccc(OC)c([PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
Br[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
Ic1cccnc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 15.126717
|
Cc1ccc(N)cc1.Ic1cccnc1>>Cc1ccc(Nc2cccnc2)cc1
|
CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.COc1ccc(OC)c([PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
FC(F)(F)c1ccc(Cl)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 3.886636
|
Cc1ccc(N)cc1.FC(F)(F)c1ccc(Cl)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CN(C)C(=NC(C)(C)C)N(C)C.COc1ccc(OC)c([PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Cl[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
FC(F)(F)c1ccc(Br)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 25.834572
|
Cc1ccc(N)cc1.FC(F)(F)c1ccc(Br)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CN(C)C(=NC(C)(C)C)N(C)C.COc1ccc(OC)c([PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Br[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
FC(F)(F)c1ccc(I)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 44.587991
|
Cc1ccc(N)cc1.FC(F)(F)c1ccc(I)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CN(C)C(=NC(C)(C)C)N(C)C.COc1ccc(OC)c([PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.I[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
COc1ccc(Cl)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 0
|
COc1ccc(Cl)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CN(C)C(=NC(C)(C)C)N(C)C.COc1ccc(OC)c([PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
Cl[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
COc1ccc(Br)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 15.166649
|
COc1ccc(Br)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CN(C)C(=NC(C)(C)C)N(C)C.COc1ccc(OC)c([PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
Br[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
COc1ccc(I)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 40.374031
|
COc1ccc(I)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CN(C)C(=NC(C)(C)C)N(C)C.COc1ccc(OC)c([PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
I[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 0
|
CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CN(C)C(=NC(C)(C)C)N(C)C.COc1ccc(OC)c([PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
Cl[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(Br)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 27.795773
|
CCc1ccc(Br)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CN(C)C(=NC(C)(C)C)N(C)C.COc1ccc(OC)c([PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
Br[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(I)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 72.313513
|
CCc1ccc(I)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CN(C)C(=NC(C)(C)C)N(C)C.COc1ccc(OC)c([PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
I[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
Clc1ccccn1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 32.0016
|
Cc1ccc(N)cc1.Clc1ccccn1>>Cc1ccc(Nc2ccccn2)cc1
|
CN(C)C(=NC(C)(C)C)N(C)C.COc1ccc(OC)c([PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
Brc1ccccn1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 51.813461
|
Brc1ccccn1.Cc1ccc(N)cc1>>Cc1ccc(Nc2ccccn2)cc1
|
CN(C)C(=NC(C)(C)C)N(C)C.COc1ccc(OC)c([PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
Br[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
Ic1ccccn1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 83.364368
|
Cc1ccc(N)cc1.Ic1ccccn1>>Cc1ccc(Nc2ccccn2)cc1
|
CN(C)C(=NC(C)(C)C)N(C)C.COc1ccc(OC)c([PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
Clc1cccnc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 2.641901
|
Cc1ccc(N)cc1.Clc1cccnc1>>Cc1ccc(Nc2cccnc2)cc1
|
CN(C)C(=NC(C)(C)C)N(C)C.COc1ccc(OC)c([PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
Brc1cccnc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 57.977528
|
Brc1cccnc1.Cc1ccc(N)cc1>>Cc1ccc(Nc2cccnc2)cc1
|
CN(C)C(=NC(C)(C)C)N(C)C.COc1ccc(OC)c([PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
Br[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
Ic1cccnc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 80.289943
|
Cc1ccc(N)cc1.Ic1cccnc1>>Cc1ccc(Nc2cccnc2)cc1
|
CN(C)C(=NC(C)(C)C)N(C)C.COc1ccc(OC)c([PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
FC(F)(F)c1ccc(Cl)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 9.56495
|
Cc1ccc(N)cc1.FC(F)(F)c1ccc(Cl)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CN1CCCN2CCCN=C12.COc1ccc(OC)c([PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Cl[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
FC(F)(F)c1ccc(Br)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 37.213818
|
Cc1ccc(N)cc1.FC(F)(F)c1ccc(Br)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CN1CCCN2CCCN=C12.COc1ccc(OC)c([PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Br[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
FC(F)(F)c1ccc(I)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 47.097649
|
Cc1ccc(N)cc1.FC(F)(F)c1ccc(I)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CN1CCCN2CCCN=C12.COc1ccc(OC)c([PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.I[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
COc1ccc(Cl)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN1CCCN2CCCN=C12.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 1.100031
|
COc1ccc(Cl)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CN1CCCN2CCCN=C12.COc1ccc(OC)c([PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
Cl[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
COc1ccc(Br)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN1CCCN2CCCN=C12.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 35.703896
|
COc1ccc(Br)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CN1CCCN2CCCN=C12.COc1ccc(OC)c([PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
Br[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
COc1ccc(I)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN1CCCN2CCCN=C12.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 54.892407
|
COc1ccc(I)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CN1CCCN2CCCN=C12.COc1ccc(OC)c([PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
I[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN1CCCN2CCCN=C12.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 0
|
CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CN1CCCN2CCCN=C12.COc1ccc(OC)c([PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
Cl[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(Br)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN1CCCN2CCCN=C12.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 57.450487
|
CCc1ccc(Br)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CN1CCCN2CCCN=C12.COc1ccc(OC)c([PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
Br[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(I)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN1CCCN2CCCN=C12.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 77.02733
|
CCc1ccc(I)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CN1CCCN2CCCN=C12.COc1ccc(OC)c([PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
I[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
Clc1ccccn1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 69.398552
|
Cc1ccc(N)cc1.Clc1ccccn1>>Cc1ccc(Nc2ccccn2)cc1
|
CN1CCCN2CCCN=C12.COc1ccc(OC)c([PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
Brc1ccccn1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 85.441972
|
Brc1ccccn1.Cc1ccc(N)cc1>>Cc1ccc(Nc2ccccn2)cc1
|
CN1CCCN2CCCN=C12.COc1ccc(OC)c([PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
Br[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
Ic1ccccn1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 92.00325
|
Cc1ccc(N)cc1.Ic1ccccn1>>Cc1ccc(Nc2ccccn2)cc1
|
CN1CCCN2CCCN=C12.COc1ccc(OC)c([PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
Clc1cccnc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 21.861786
|
Cc1ccc(N)cc1.Clc1cccnc1>>Cc1ccc(Nc2cccnc2)cc1
|
CN1CCCN2CCCN=C12.COc1ccc(OC)c([PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
Brc1cccnc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 83.654332
|
Brc1cccnc1.Cc1ccc(N)cc1>>Cc1ccc(Nc2cccnc2)cc1
|
CN1CCCN2CCCN=C12.COc1ccc(OC)c([PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
Br[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
Ic1cccnc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 92.956703
|
Cc1ccc(N)cc1.Ic1cccnc1>>Cc1ccc(Nc2cccnc2)cc1
|
CN1CCCN2CCCN=C12.COc1ccc(OC)c([PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
FC(F)(F)c1ccc(Cl)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 6.575127
|
Cc1ccc(N)cc1.FC(F)(F)c1ccc(Cl)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Cl[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
FC(F)(F)c1ccc(Br)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 8.742546
|
Cc1ccc(N)cc1.FC(F)(F)c1ccc(Br)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Br[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
FC(F)(F)c1ccc(I)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 9.935133
|
Cc1ccc(N)cc1.FC(F)(F)c1ccc(I)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.I[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
COc1ccc(Cl)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 1.705289
|
COc1ccc(Cl)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
Cl[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
COc1ccc(Br)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 12.295943
|
COc1ccc(Br)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
Br[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
COc1ccc(I)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 16.857023
|
COc1ccc(I)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
I[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 3.595206
|
CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
Cl[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(Br)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 19.90273
|
CCc1ccc(Br)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
Br[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(I)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 25.252703
|
CCc1ccc(I)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
I[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
Clc1ccccn1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 16.158511
|
Cc1ccc(N)cc1.Clc1ccccn1>>Cc1ccc(Nc2ccccn2)cc1
|
CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
Brc1ccccn1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 20.643574
|
Brc1ccccn1.Cc1ccc(N)cc1>>Cc1ccc(Nc2ccccn2)cc1
|
CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
Br[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
Ic1ccccn1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 24.162563
|
Cc1ccc(N)cc1.Ic1ccccn1>>Cc1ccc(Nc2ccccn2)cc1
|
CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
Clc1cccnc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 7.938108
|
Cc1ccc(N)cc1.Clc1cccnc1>>Cc1ccc(Nc2cccnc2)cc1
|
CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
Brc1cccnc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 13.646554
|
Brc1cccnc1.Cc1ccc(N)cc1>>Cc1ccc(Nc2cccnc2)cc1
|
CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
Br[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
Ic1cccnc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 14.36737
|
Cc1ccc(N)cc1.Ic1cccnc1>>Cc1ccc(Nc2cccnc2)cc1
|
CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
FC(F)(F)c1ccc(Cl)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 3.956886
|
Cc1ccc(N)cc1.FC(F)(F)c1ccc(Cl)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CN(C)C(=NC(C)(C)C)N(C)C.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Cl[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
FC(F)(F)c1ccc(Br)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 22.516172
|
Cc1ccc(N)cc1.FC(F)(F)c1ccc(Br)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CN(C)C(=NC(C)(C)C)N(C)C.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Br[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
FC(F)(F)c1ccc(I)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 39.745935
|
Cc1ccc(N)cc1.FC(F)(F)c1ccc(I)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CN(C)C(=NC(C)(C)C)N(C)C.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.I[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
COc1ccc(Cl)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 0
|
COc1ccc(Cl)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CN(C)C(=NC(C)(C)C)N(C)C.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
Cl[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
COc1ccc(Br)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 15.821794
|
COc1ccc(Br)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CN(C)C(=NC(C)(C)C)N(C)C.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
Br[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
COc1ccc(I)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 40.139694
|
COc1ccc(I)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CN(C)C(=NC(C)(C)C)N(C)C.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
I[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 0.576933
|
CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CN(C)C(=NC(C)(C)C)N(C)C.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
Cl[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(Br)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 29.297955
|
CCc1ccc(Br)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CN(C)C(=NC(C)(C)C)N(C)C.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
Br[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(I)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 73.739939
|
CCc1ccc(I)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CN(C)C(=NC(C)(C)C)N(C)C.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
I[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
Clc1ccccn1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 24.606023
|
Cc1ccc(N)cc1.Clc1ccccn1>>Cc1ccc(Nc2ccccn2)cc1
|
CN(C)C(=NC(C)(C)C)N(C)C.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
Brc1ccccn1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 39.093725
|
Brc1ccccn1.Cc1ccc(N)cc1>>Cc1ccc(Nc2ccccn2)cc1
|
CN(C)C(=NC(C)(C)C)N(C)C.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
Br[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
Ic1ccccn1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 65.389333
|
Cc1ccc(N)cc1.Ic1ccccn1>>Cc1ccc(Nc2ccccn2)cc1
|
CN(C)C(=NC(C)(C)C)N(C)C.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
Clc1cccnc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 2.344713
|
Cc1ccc(N)cc1.Clc1cccnc1>>Cc1ccc(Nc2cccnc2)cc1
|
CN(C)C(=NC(C)(C)C)N(C)C.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
Brc1cccnc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 48.307103
|
Brc1cccnc1.Cc1ccc(N)cc1>>Cc1ccc(Nc2cccnc2)cc1
|
CN(C)C(=NC(C)(C)C)N(C)C.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
Br[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
Ic1cccnc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 72.941854
|
Cc1ccc(N)cc1.Ic1cccnc1>>Cc1ccc(Nc2cccnc2)cc1
|
CN(C)C(=NC(C)(C)C)N(C)C.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
FC(F)(F)c1ccc(Cl)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 10.001882
|
Cc1ccc(N)cc1.FC(F)(F)c1ccc(Cl)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CN1CCCN2CCCN=C12.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Cl[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
FC(F)(F)c1ccc(Br)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 37.520764
|
Cc1ccc(N)cc1.FC(F)(F)c1ccc(Br)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CN1CCCN2CCCN=C12.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Br[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
FC(F)(F)c1ccc(I)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 52.588116
|
Cc1ccc(N)cc1.FC(F)(F)c1ccc(I)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CN1CCCN2CCCN=C12.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.I[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
COc1ccc(Cl)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN1CCCN2CCCN=C12.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 0.862838
|
COc1ccc(Cl)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CN1CCCN2CCCN=C12.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
Cl[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
COc1ccc(Br)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN1CCCN2CCCN=C12.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 34.285079
|
COc1ccc(Br)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CN1CCCN2CCCN=C12.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
Br[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
COc1ccc(I)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN1CCCN2CCCN=C12.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 53.145239
|
COc1ccc(I)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CN1CCCN2CCCN=C12.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
I[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN1CCCN2CCCN=C12.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 2.173415
|
CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CN1CCCN2CCCN=C12.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
Cl[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(Br)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN1CCCN2CCCN=C12.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 59.968
|
CCc1ccc(Br)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CN1CCCN2CCCN=C12.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
Br[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(I)cc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN1CCCN2CCCN=C12.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 80.97805
|
CCc1ccc(I)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CN1CCCN2CCCN=C12.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
I[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
Clc1ccccn1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 68.006565
|
Cc1ccc(N)cc1.Clc1ccccn1>>Cc1ccc(Nc2ccccn2)cc1
|
CN1CCCN2CCCN=C12.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
Brc1ccccn1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 84.91025
|
Brc1ccccn1.Cc1ccc(N)cc1>>Cc1ccc(Nc2ccccn2)cc1
|
CN1CCCN2CCCN=C12.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
Br[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
Ic1ccccn1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 95.070201
|
Cc1ccc(N)cc1.Ic1ccccn1>>Cc1ccc(Nc2ccccn2)cc1
|
CN1CCCN2CCCN=C12.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
Clc1cccnc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 15.223476
|
Cc1ccc(N)cc1.Clc1cccnc1>>Cc1ccc(Nc2cccnc2)cc1
|
CN1CCCN2CCCN=C12.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
Brc1cccnc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 86.41541
|
Brc1cccnc1.Cc1ccc(N)cc1>>Cc1ccc(Nc2cccnc2)cc1
|
CN1CCCN2CCCN=C12.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
Br[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
Ic1cccnc1.Cc1ccc(N)cc1>COc1ccc(OC)c(P(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.c1ccc(-c2ccno2)cc1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 92.130682
|
Cc1ccc(N)cc1.Ic1cccnc1>>Cc1ccc(Nc2cccnc2)cc1
|
CN1CCCN2CCCN=C12.COc1ccc(OC)c([PH](C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(C)=O.c1ccc(-c2ccno2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
FC(F)(F)c1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.c1ccc(-c2ccon2)cc1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 2.96887
|
Cc1ccc(N)cc1.FC(F)(F)c1ccc(Cl)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O.c1ccc(-c2ccon2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Cl[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
FC(F)(F)c1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.c1ccc(-c2ccon2)cc1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 2.391871
|
Cc1ccc(N)cc1.FC(F)(F)c1ccc(Br)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O.c1ccc(-c2ccon2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Br[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
FC(F)(F)c1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.c1ccc(-c2ccon2)cc1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 20.867476
|
Cc1ccc(N)cc1.FC(F)(F)c1ccc(I)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O.c1ccc(-c2ccon2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.I[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
COc1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.c1ccc(-c2ccon2)cc1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 2.064063
|
COc1ccc(Cl)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O.c1ccc(-c2ccon2)cc1
|
Cl[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
COc1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.c1ccc(-c2ccon2)cc1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 11.130981
|
COc1ccc(Br)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O.c1ccc(-c2ccon2)cc1
|
Br[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
COc1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.c1ccc(-c2ccon2)cc1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 14.366936
|
COc1ccc(I)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O.c1ccc(-c2ccon2)cc1
|
I[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.c1ccc(-c2ccon2)cc1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 9.085602
|
CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O.c1ccc(-c2ccon2)cc1
|
Cl[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.c1ccc(-c2ccon2)cc1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 51.715384
|
CCc1ccc(Br)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O.c1ccc(-c2ccon2)cc1
|
Br[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.c1ccc(-c2ccon2)cc1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 53.239364
|
CCc1ccc(I)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O.c1ccc(-c2ccon2)cc1
|
I[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
Clc1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.c1ccc(-c2ccon2)cc1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 10.59566
|
Cc1ccc(N)cc1.Clc1ccccn1>>Cc1ccc(Nc2ccccn2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O.c1ccc(-c2ccon2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
Brc1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.c1ccc(-c2ccon2)cc1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 12.241565
|
Brc1ccccn1.Cc1ccc(N)cc1>>Cc1ccc(Nc2ccccn2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O.c1ccc(-c2ccon2)cc1
|
Br[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
Ic1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.c1ccc(-c2ccon2)cc1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 12.721405
|
Cc1ccc(N)cc1.Ic1ccccn1>>Cc1ccc(Nc2ccccn2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O.c1ccc(-c2ccon2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
Clc1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.c1ccc(-c2ccon2)cc1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 20.534768
|
Cc1ccc(N)cc1.Clc1cccnc1>>Cc1ccc(Nc2cccnc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O.c1ccc(-c2ccon2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
Brc1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.c1ccc(-c2ccon2)cc1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 16.036398
|
Brc1cccnc1.Cc1ccc(N)cc1>>Cc1ccc(Nc2cccnc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O.c1ccc(-c2ccon2)cc1
|
Br[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
Ic1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.c1ccc(-c2ccon2)cc1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 19.29401
|
Cc1ccc(N)cc1.Ic1cccnc1>>Cc1ccc(Nc2cccnc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O.c1ccc(-c2ccon2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
FC(F)(F)c1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.c1ccc(-c2ccon2)cc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 24.421525
|
Cc1ccc(N)cc1.FC(F)(F)c1ccc(Cl)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O.c1ccc(-c2ccon2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Cl[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
FC(F)(F)c1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.c1ccc(-c2ccon2)cc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 35.720582
|
Cc1ccc(N)cc1.FC(F)(F)c1ccc(Br)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O.c1ccc(-c2ccon2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Br[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
FC(F)(F)c1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.c1ccc(-c2ccon2)cc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 34.688665
|
Cc1ccc(N)cc1.FC(F)(F)c1ccc(I)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O.c1ccc(-c2ccon2)cc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.I[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
COc1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.c1ccc(-c2ccon2)cc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 1.299882
|
COc1ccc(Cl)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O.c1ccc(-c2ccon2)cc1
|
Cl[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
COc1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.c1ccc(-c2ccon2)cc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 17.26981
|
COc1ccc(Br)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O.c1ccc(-c2ccon2)cc1
|
Br[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
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