smiles stringlengths 185 283 | yield float64 0 100 | canonical_smiles stringclasses 15
values | others_smiles stringclasses 264
values | mapped_smiles stringclasses 15
values |
|---|---|---|---|---|
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.COC(=O)c1ccno1.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 | 3.449625 | 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.COC(=O)c1ccno1.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 | [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.COC(=O)c1ccno1.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 | 3.932288 | 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.COC(=O)c1ccno1.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 | [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.COC(=O)c1ccno1.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 | 5.4196 | 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.COC(=O)c1ccno1.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 | [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.COC(=O)c1ccno1.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 | 0 | 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.COC(=O)c1ccno1.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 | 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.COC(=O)c1ccno1.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 | 4.778366 | 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.COC(=O)c1ccno1.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 | 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.COC(=O)c1ccno1.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 | 8.071196 | 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.COC(=O)c1ccno1.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 | 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.COC(=O)c1ccno1.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 | 0.526968 | 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.COC(=O)c1ccno1.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 | 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.COC(=O)c1ccno1.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 | 9.746425 | 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.COC(=O)c1ccno1.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 | 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.COC(=O)c1ccno1.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 | 14.437854 | 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.COC(=O)c1ccno1.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 | 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.COC(=O)c1ccno1.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 | 8.586375 | 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.COC(=O)c1ccno1.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 | [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.COC(=O)c1ccno1.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 | 11.064457 | 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.COC(=O)c1ccno1.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 | 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.COC(=O)c1ccno1.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 | 15.421968 | 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.COC(=O)c1ccno1.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 | [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.COC(=O)c1ccno1.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 | 2.238997 | 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.COC(=O)c1ccno1.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 | [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.COC(=O)c1ccno1.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 | 8.862815 | 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.COC(=O)c1ccno1.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 | 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.COC(=O)c1ccno1.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 | 10.829638 | 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.COC(=O)c1ccno1.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 | [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.COC(=O)c1ccno1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | 0.432283 | 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.COC(=O)c1ccno1.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 | [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.COC(=O)c1ccno1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | 4.469322 | 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.COC(=O)c1ccno1.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 | [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.COC(=O)c1ccno1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | 18.538015 | 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.COC(=O)c1ccno1.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 | [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.COC(=O)c1ccno1.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.COC(=O)c1ccno1.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 | 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.COC(=O)c1ccno1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1 | 3.046256 | COc1ccc(Br)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1 | CN(C)C(=NC(C)(C)C)N(C)C.COC(=O)c1ccno1.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 | 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.COC(=O)c1ccno1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1 | 24.022185 | COc1ccc(I)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1 | CN(C)C(=NC(C)(C)C)N(C)C.COC(=O)c1ccno1.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 | 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.COC(=O)c1ccno1.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.COC(=O)c1ccno1.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 | 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.COC(=O)c1ccno1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1 | 5.605745 | CCc1ccc(Br)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1 | CN(C)C(=NC(C)(C)C)N(C)C.COC(=O)c1ccno1.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 | 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.COC(=O)c1ccno1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1 | 39.24344 | CCc1ccc(I)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1 | CN(C)C(=NC(C)(C)C)N(C)C.COC(=O)c1ccno1.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 | 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.COC(=O)c1ccno1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1 | 3.747141 | Cc1ccc(N)cc1.Clc1ccccn1>>Cc1ccc(Nc2ccccn2)cc1 | CN(C)C(=NC(C)(C)C)N(C)C.COC(=O)c1ccno1.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 | [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.COC(=O)c1ccno1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1 | 6.703331 | Brc1ccccn1.Cc1ccc(N)cc1>>Cc1ccc(Nc2ccccn2)cc1 | CN(C)C(=NC(C)(C)C)N(C)C.COC(=O)c1ccno1.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 | 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.COC(=O)c1ccno1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1 | 17.352289 | Cc1ccc(N)cc1.Ic1ccccn1>>Cc1ccc(Nc2ccccn2)cc1 | CN(C)C(=NC(C)(C)C)N(C)C.COC(=O)c1ccno1.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 | [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.COC(=O)c1ccno1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1 | 0 | Cc1ccc(N)cc1.Clc1cccnc1>>Cc1ccc(Nc2cccnc2)cc1 | CN(C)C(=NC(C)(C)C)N(C)C.COC(=O)c1ccno1.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 | [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.COC(=O)c1ccno1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1 | 12.57406 | Brc1cccnc1.Cc1ccc(N)cc1>>Cc1ccc(Nc2cccnc2)cc1 | CN(C)C(=NC(C)(C)C)N(C)C.COC(=O)c1ccno1.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 | 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.COC(=O)c1ccno1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1 | 29.297642 | Cc1ccc(N)cc1.Ic1cccnc1>>Cc1ccc(Nc2cccnc2)cc1 | CN(C)C(=NC(C)(C)C)N(C)C.COC(=O)c1ccno1.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 | [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.COC(=O)c1ccno1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | 6.924988 | Cc1ccc(N)cc1.FC(F)(F)c1ccc(Cl)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | CN1CCCN2CCCN=C12.COC(=O)c1ccno1.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 | [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.COC(=O)c1ccno1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | 19.602223 | Cc1ccc(N)cc1.FC(F)(F)c1ccc(Br)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | CN1CCCN2CCCN=C12.COC(=O)c1ccno1.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 | [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.COC(=O)c1ccno1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | 43.941234 | Cc1ccc(N)cc1.FC(F)(F)c1ccc(I)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | CN1CCCN2CCCN=C12.COC(=O)c1ccno1.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 | [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.COC(=O)c1ccno1.CN1CCCN2CCCN=C12.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1 | 1.0612 | COc1ccc(Cl)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1 | CN1CCCN2CCCN=C12.COC(=O)c1ccno1.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 | 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.COC(=O)c1ccno1.CN1CCCN2CCCN=C12.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1 | 17.848057 | COc1ccc(Br)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1 | CN1CCCN2CCCN=C12.COC(=O)c1ccno1.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 | 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.COC(=O)c1ccno1.CN1CCCN2CCCN=C12.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1 | 39.005859 | COc1ccc(I)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1 | CN1CCCN2CCCN=C12.COC(=O)c1ccno1.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 | 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.COC(=O)c1ccno1.CN1CCCN2CCCN=C12.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1 | 2.373222 | CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1 | CN1CCCN2CCCN=C12.COC(=O)c1ccno1.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 | 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.COC(=O)c1ccno1.CN1CCCN2CCCN=C12.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1 | 29.360837 | CCc1ccc(Br)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1 | CN1CCCN2CCCN=C12.COC(=O)c1ccno1.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 | 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.COC(=O)c1ccno1.CN1CCCN2CCCN=C12.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1 | 68.19077 | CCc1ccc(I)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1 | CN1CCCN2CCCN=C12.COC(=O)c1ccno1.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 | 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.COC(=O)c1ccno1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1 | 29.357435 | Cc1ccc(N)cc1.Clc1ccccn1>>Cc1ccc(Nc2ccccn2)cc1 | CN1CCCN2CCCN=C12.COC(=O)c1ccno1.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 | [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.COC(=O)c1ccno1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1 | 35.645984 | Brc1ccccn1.Cc1ccc(N)cc1>>Cc1ccc(Nc2ccccn2)cc1 | CN1CCCN2CCCN=C12.COC(=O)c1ccno1.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 | 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.COC(=O)c1ccno1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1 | 77.546775 | Cc1ccc(N)cc1.Ic1ccccn1>>Cc1ccc(Nc2ccccn2)cc1 | CN1CCCN2CCCN=C12.COC(=O)c1ccno1.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 | [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.COC(=O)c1ccno1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1 | 7.732564 | Cc1ccc(N)cc1.Clc1cccnc1>>Cc1ccc(Nc2cccnc2)cc1 | CN1CCCN2CCCN=C12.COC(=O)c1ccno1.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 | [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.COC(=O)c1ccno1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1 | 36.034817 | Brc1cccnc1.Cc1ccc(N)cc1>>Cc1ccc(Nc2cccnc2)cc1 | CN1CCCN2CCCN=C12.COC(=O)c1ccno1.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 | 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.COC(=O)c1ccno1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1 | 63.990722 | Cc1ccc(N)cc1.Ic1cccnc1>>Cc1ccc(Nc2cccnc2)cc1 | CN1CCCN2CCCN=C12.COC(=O)c1ccno1.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 | [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.CCOC(=O)c1cnoc1.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 | 0.522267 | 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.CCOC(=O)c1cnoc1.CS(C)=O | [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.CCOC(=O)c1cnoc1.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 | 0 | 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.CCOC(=O)c1cnoc1.CS(C)=O | [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.CCOC(=O)c1cnoc1.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 | 0 | 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.CCOC(=O)c1cnoc1.CS(C)=O | [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.CCOC(=O)c1cnoc1.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 | 0 | 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.CCOC(=O)c1cnoc1.CS(C)=O | 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.CCOC(=O)c1cnoc1.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 | 0 | 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.CCOC(=O)c1cnoc1.CS(C)=O | 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.CCOC(=O)c1cnoc1.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 | 0 | 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.CCOC(=O)c1cnoc1.CS(C)=O | 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.CCOC(=O)c1cnoc1.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 | 0 | 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.CCOC(=O)c1cnoc1.CS(C)=O | 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.CCOC(=O)c1cnoc1.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 | 0 | 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.CCOC(=O)c1cnoc1.CS(C)=O | 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.CCOC(=O)c1cnoc1.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 | 0 | 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.CCOC(=O)c1cnoc1.CS(C)=O | 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.CCOC(=O)c1cnoc1.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 | 0 | 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.CCOC(=O)c1cnoc1.CS(C)=O | [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.CCOC(=O)c1cnoc1.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 | 0 | 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.CCOC(=O)c1cnoc1.CS(C)=O | 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.CCOC(=O)c1cnoc1.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 | 0 | 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.CCOC(=O)c1cnoc1.CS(C)=O | [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.CCOC(=O)c1cnoc1.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 | 0 | 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.CCOC(=O)c1cnoc1.CS(C)=O | [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.CCOC(=O)c1cnoc1.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 | 0 | 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.CCOC(=O)c1cnoc1.CS(C)=O | 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.CCOC(=O)c1cnoc1.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 | 0 | 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.CCOC(=O)c1cnoc1.CS(C)=O | [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.CCOC(=O)c1cnoc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | 0.757519 | 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.CCOC(=O)c1cnoc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | [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.CCOC(=O)c1cnoc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | 0.546791 | 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.CCOC(=O)c1cnoc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | [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.CCOC(=O)c1cnoc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | 0.707669 | 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.CCOC(=O)c1cnoc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | [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.CCOC(=O)c1cnoc1.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 | 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.CCOC(=O)c1cnoc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | 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.CCOC(=O)c1cnoc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1 | 0 | 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.CCOC(=O)c1cnoc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | 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.CCOC(=O)c1cnoc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1 | 1.933202 | 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.CCOC(=O)c1cnoc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | 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.CCOC(=O)c1cnoc1.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 | 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.CCOC(=O)c1cnoc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | 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.CCOC(=O)c1cnoc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1 | 1.204027 | 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.CCOC(=O)c1cnoc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | 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.CCOC(=O)c1cnoc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1 | 0.602411 | 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.CCOC(=O)c1cnoc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | 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.CCOC(=O)c1cnoc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1 | 0 | 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.CCOC(=O)c1cnoc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | [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.CCOC(=O)c1cnoc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1 | 1.437347 | 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.CCOC(=O)c1cnoc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | 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.CCOC(=O)c1cnoc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1 | 1.530768 | 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.CCOC(=O)c1cnoc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | [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.CCOC(=O)c1cnoc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1 | 0 | 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.CCOC(=O)c1cnoc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | [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.CCOC(=O)c1cnoc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1 | 0 | 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.CCOC(=O)c1cnoc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | 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.CCOC(=O)c1cnoc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1 | 0.027451 | 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.CCOC(=O)c1cnoc1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | [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.CCOC(=O)c1cnoc1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | 16.820183 | 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.CCOC(=O)c1cnoc1.CN1CCCN2CCCN=C12.CS(C)=O | [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.CCOC(=O)c1cnoc1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | 21.423937 | 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.CCOC(=O)c1cnoc1.CN1CCCN2CCCN=C12.CS(C)=O | [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.CCOC(=O)c1cnoc1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | 19.151661 | 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.CCOC(=O)c1cnoc1.CN1CCCN2CCCN=C12.CS(C)=O | [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.CCOC(=O)c1cnoc1.CN1CCCN2CCCN=C12.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1 | 0.423167 | 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.CCOC(=O)c1cnoc1.CN1CCCN2CCCN=C12.CS(C)=O | 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.CCOC(=O)c1cnoc1.CN1CCCN2CCCN=C12.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1 | 4.730132 | 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.CCOC(=O)c1cnoc1.CN1CCCN2CCCN=C12.CS(C)=O | 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.CCOC(=O)c1cnoc1.CN1CCCN2CCCN=C12.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1 | 9.359306 | 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.CCOC(=O)c1cnoc1.CN1CCCN2CCCN=C12.CS(C)=O | 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.CCOC(=O)c1cnoc1.CN1CCCN2CCCN=C12.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1 | 3.525706 | 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.CCOC(=O)c1cnoc1.CN1CCCN2CCCN=C12.CS(C)=O | 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.CCOC(=O)c1cnoc1.CN1CCCN2CCCN=C12.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1 | 17.858716 | 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.CCOC(=O)c1cnoc1.CN1CCCN2CCCN=C12.CS(C)=O | 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.CCOC(=O)c1cnoc1.CN1CCCN2CCCN=C12.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1 | 21.486726 | 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.CCOC(=O)c1cnoc1.CN1CCCN2CCCN=C12.CS(C)=O | 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.CCOC(=O)c1cnoc1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1 | 7.156168 | 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.CCOC(=O)c1cnoc1.CN1CCCN2CCCN=C12.CS(C)=O | [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.CCOC(=O)c1cnoc1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1 | 11.852007 | 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.CCOC(=O)c1cnoc1.CN1CCCN2CCCN=C12.CS(C)=O | 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.CCOC(=O)c1cnoc1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1 | 13.499998 | 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.CCOC(=O)c1cnoc1.CN1CCCN2CCCN=C12.CS(C)=O | [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.CCOC(=O)c1cnoc1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1 | 4.333467 | 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.CCOC(=O)c1cnoc1.CN1CCCN2CCCN=C12.CS(C)=O | [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.CCOC(=O)c1cnoc1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1 | 12.517229 | 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.CCOC(=O)c1cnoc1.CN1CCCN2CCCN=C12.CS(C)=O | 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.CCOC(=O)c1cnoc1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1 | 18.548271 | 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.CCOC(=O)c1cnoc1.CN1CCCN2CCCN=C12.CS(C)=O | [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.c1ccc2oncc2c1.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 | 16.766177 | 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.c1ccc2oncc2c1 | [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.c1ccc2oncc2c1.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 | 27.473043 | 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.c1ccc2oncc2c1 | [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.c1ccc2oncc2c1.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 | 35.897246 | 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.c1ccc2oncc2c1 | [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.c1ccc2oncc2c1.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 | 0.850358 | 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.c1ccc2oncc2c1 | 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.c1ccc2oncc2c1.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 | 9.607509 | 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.c1ccc2oncc2c1 | 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.c1ccc2oncc2c1.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 | 11.829381 | 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.c1ccc2oncc2c1 | 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.c1ccc2oncc2c1.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 | 8.822069 | 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.c1ccc2oncc2c1 | 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.c1ccc2oncc2c1.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 | 25.875491 | 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.c1ccc2oncc2c1 | 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.c1ccc2oncc2c1.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 | 34.296895 | 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.c1ccc2oncc2c1 | 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.c1ccc2oncc2c1.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 | 17.200701 | 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.c1ccc2oncc2c1 | [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 |
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