smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[CH2:1]([NH2:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH:9]12[CH2:14][CH:13]1[C:12](=[O:15])N[C:10]2=[O:16]>>[CH2:1]([N:8]1[C:12](=[O:15])[CH:13]2[CH:9]([CH2:14]2)[C:10]1=[O:16])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
BrC=1C=C(C(=NC1)OCCC1CCN(CC1)C(=O)OC(C)(C)C)C(F)(F)F>O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2].C(C)(=O)[O-].[K+]>CC1(OB(OC1(C)C)C=1C=C(C(=NC1)OCCC1CCN(CC1)C(=O)OC(C)(C)C)C(F)(F)F)C | 3 |
[N:1]1[CH:6]=[CH:5][CH:4]=[C:3]([NH2:7])[CH:2]=1.[CH2:8]([O:15][C:16]1[CH:23]=[CH:22][C:21]([Cl:24])=[CH:20][C:17]=1[CH:18]=O)[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1>>[CH2:8]([O:15][C:16]1[CH:23]=[CH:22][C:21]([Cl:24])=[CH:20][C:17]=1[CH:18]=[N:7][C:3]1[CH:2]=[N:1][CH:6]=[CH:5][CH:4]=1)[C:9]1[CH:10]=[CH:11][CH:12]=[CH:13][CH:14]=1 | 2 |
[C:1]([C:4]12[CH2:11][CH2:10][C:7]([NH:12][CH2:13][C:14]([N:16]3[CH2:20][C@@H:19]([F:21])[CH2:18][C@H:17]3[C:22]#[N:23])=[O:15])([CH2:8][CH2:9]1)[CH2:6][CH2:5]2)(O)=[O:2].[CH2:24]([O:29][C:30]1[CH:36]=[CH:35][C:33]([NH2:34])=[CH:32][CH:31]=1)[CH2:25][CH2:26][CH2:27][CH3:28]>>[F:21][C@@H:19]1[CH2:20][N:16]([C:14](=[O:15])[CH2:13][NH:12][C:7]23[CH2:10][CH2:11][C:4]([C:1]([NH:34][C:33]4[CH:32]=[CH:31][C:30]([O:29][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])=[CH:36][CH:35]=4)=[O:2])([CH2:9][CH2:8]2)[CH2:5][CH2:6]3)[C@H:17]([C:22]#[N:23])[CH2:18]1 | 1 |
COC1=CC=C(C=C1)CN1C(C2(CC(N(C2)C)=O)CCC1=O)=O>CC#N.O.C(O)([O-])=O.[Na+].[N+](=O)([O-])[O-].[NH4+].[Ce+4].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]>CN1CC2(CC1=O)C(NC(CC2)=O)=O | 3 |
[NH2:1][C:2]1[N:3]=[C:4]([C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)[C:5]([C:9]2[CH:10]=[CH:11][C:12](=[O:18])[N:13]([CH:15]([CH3:17])[CH3:16])[CH:14]=2)=[N:6][C:7]=1Br.[CH3:25][NH2:26]>C1COCC1>[NH2:1][C:2]1[N:3]=[C:4]([C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)[C:5]([C:9]2[CH:10]=[CH:11][C:12](=[O:18])[N:13]([CH:15]([CH3:17])[CH3:16])[CH:14]=2)=[N:6][C:7]=1[NH:26][CH3:25] | 1 |
C(#N)C1=C(C(=NC=C1)F)CCC(=O)OCC>O.C1CCCO1.S(O)(O)(=O)=O.C[Si](C)(C)[N-][Si](C)(C)C.[Li+].[Cl-].[NH4+]>OC1=NC=CC2=C1CCC2=O | 3 |
FC(CN1CCN(CC1)C(=O)OC(C)(C)C)(F)F>Cl.O1CCOCC1>Cl.Cl.FC(CN1CCNCC1)(F)F | 3 |
Cl.CN.FC1=C(N)C=C(C(=C1)C)[N+](=O)[O-]>CS(=O)C.C(C)(C)N(C(C)C)CC>CNC=1C(=CC(=C(C1)C)[N+](=O)[O-])N | 3 |
[NH2:1][C:2]1[C:3]([Cl:16])=[C:4]([NH:9][S:10]([CH2:13][CH2:14][CH3:15])(=[O:12])=[O:11])[CH:5]=[CH:6][C:7]=1[Cl:8].N1C=CC=CC=1.[Cl:23][C:24]1[C:33]2[C:28](=[C:29]([C:34](Cl)=[O:35])[CH:30]=[CH:31][CH:32]=2)[N:27]=[CH:26][N:25]=1>C(Cl)(Cl)Cl>[Cl:23][C:24]1[C:33]2[C:28](=[C:29]([C:34]([NH:1][C:2]3[C:7]([Cl:8])=[CH:6][CH:5]=[C:4]([NH:9][S:10]([CH2:13][CH2:14][CH3:15])(=[O:12])=[O:11])[C:3]=3[Cl:16])=[O:35])[CH:30]=[CH:31][CH:32]=2)[N:27]=[CH:26][N:25]=1 | 2 |
[CH3:1][N:2]1[C:7](SC)=[N:6][C:5](=[O:10])[C:4]([C:11]2[CH:16]=[CH:15][C:14]([CH3:17])=[CH:13][CH:12]=2)=[N:3]1.[Na].[CH3:19][OH:20]>>[CH3:1][N:2]1[C:7]([O:20][CH3:19])=[N:6][C:5](=[O:10])[C:4]([C:11]2[CH:16]=[CH:15][C:14]([CH3:17])=[CH:13][CH:12]=2)=[N:3]1 | 1 |
C(C)OC(CCCOC1=C(C(=CC=C1)CCCCCCOC1=CC(=CC(=C1)S(=O)(=O)C(C)C)C1=CC2=C(OCO2)C=C1)CCC(=O)OCC)=O>>O1COC2=C1C=CC(=C2)C=2C=C(OCCCCCCC=1C(=C(OCCCC(=O)O)C=CC1)CCC(=O)O)C=C(C2)S(=O)(=O)C(C)C | 5 |
[C:1]([OH:18])(=[O:17])[C:2]1[C:3](=[CH:7][C:8](=[C:12]([CH:16]=1)[C:13]([OH:15])=[O:14])[C:9]([OH:11])=[O:10])[C:4]([OH:6])=[O:5].[H][H]>[Rh].O>[CH:8]1([C:9]([OH:11])=[O:10])[CH2:7][CH:3]([C:4]([OH:6])=[O:5])[CH:2]([C:1]([OH:18])=[O:17])[CH2:16][CH:12]1[C:13]([OH:15])=[O:14] | 1 |
[C:1]([C:3]1[CH:8]=[CH:7][C:6]([N:9]2[CH2:14][CH2:13][N:12]([C:15]([C:17]3[CH:18]=[C:19]([S:24]([NH2:27])(=[O:26])=[O:25])[CH:20]=[CH:21][C:22]=3[OH:23])=[O:16])[CH2:11][CH2:10]2)=[CH:5][C:4]=1[F:28])#[N:2].[CH3:29][CH:30]([CH3:33])[CH2:31]O.C1(P(C2C=CC=CC=2)C2C=CC=CN=2)C=CC=CC=1.N(C(OC(C)(C)C)=O)=NC(OC(C)(C)C)=O>C1COCC1.C(OCC)(=O)C>[C:1]([C:3]1[CH:8]=[CH:7][C:6]([N:9]2[CH2:10][CH2:11][N:12]([C:15]([C:17]3[CH:18]=[C:19]([S:24]([NH2:27])(=[O:25])=[O:26])[CH:20]=[CH:21][C:22]=3[O:23][CH2:29][CH:30]([CH3:33])[CH3:31])=[O:16])[CH2:13][CH2:14]2)=[CH:5][C:4]=1[F:28])#[N:2] | 1 |
ClCC1C(CCl)=C(Cl)C(Cl)=C(Cl)C=1Cl.[S:15](=[O:17])=[O:16].[CH2:18]1[CH2:22][NH2+:21][CH2:20][CH2:19]1.[CH2:23]1[O:27][CH:26]2[O:28][CH:24]1[C:25]2([CH:40]([I:42])[I:41])[CH2:29][CH2:30][C:31]1([CH:37]([I:39])[I:38])[CH:35]2[O:36][CH:32]1[CH2:33][O:34]2>>[S:15](=[O:27])(=[O:17])=[O:16].[CH2:18]1[CH2:22][NH2+:21][CH2:20][CH2:19]1.[CH2:23]1[O:27][CH:26]2[O:28][CH:24]1[C:25]2([CH:40]([I:41])[I:42])[CH2:29][CH2:30][C:31]1([CH:37]([I:38])[I:39])[CH:35]2[O:36][CH:32]1[CH2:33][O:34]2 | 1 |
[Br:1][CH2:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2[CH:14]=[CH:13][C:12]([C@H:15]3[CH2:20][CH2:19][C@H:18]([CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])[CH2:17][CH2:16]3)=[CH:11][CH:10]=2)=[CH:5][CH:4]=1.[C:26]1([P:32]([C:39]2[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=2)[C:33]2[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=2)[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=1>CC1C=CC=CC=1C>[Br-:1].[CH2:21]([C@H:18]1[CH2:17][CH2:16][C@H:15]([C:12]2[CH:11]=[CH:10][C:9]([C:6]3[CH:7]=[CH:8][C:3]([CH2:2][P+:32]([C:26]4[CH:27]=[CH:28][CH:29]=[CH:30][CH:31]=4)([C:33]4[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=4)[C:39]4[CH:40]=[CH:41][CH:42]=[CH:43][CH:44]=4)=[CH:4][CH:5]=3)=[CH:14][CH:13]=2)[CH2:20][CH2:19]1)[CH2:22][CH2:23][CH2:24][CH3:25] | 1 |
[Si]([O:8][C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=1[S:15]([C:18]1[CH:31]=[CH:30][C:21]2[O:22][C:23]([CH3:29])([CH3:28])[C@@:24]3([CH3:27])[O:26][C@H:25]3[C:20]=2[CH:19]=1)(=[O:17])=[O:16])(C(C)(C)C)(C)C.[CH3:32][N:33]1[C:38](=[O:39])[CH:37]=[CH:36][C:35]([OH:40])=[N:34]1.N1C=CC=CC=1>O1CCOCC1>[CH3:32][N:33]1[C:38](=[O:39])[CH:37]=[CH:36][C:35]([O:40][C@H:25]2[C@@:24]([OH:26])([CH3:27])[C:23]([CH3:29])([CH3:28])[O:22][C:21]3[CH:30]=[CH:31][C:18]([S:15]([C:10]4[CH:11]=[CH:12][CH:13]=[CH:14][C:9]=4[OH:8])(=[O:17])=[O:16])=[CH:19][C:20]2=3)=[N:34]1 | 1 |
Cl.[F:2][C:3]1[CH:8]=[CH:7][C:6]([C:9](=[O:21])[CH2:10][C:11](SC2C=CC(Cl)=CC=2)=[NH:12])=[CH:5][CH:4]=1.[Br:22][C:23]1[CH:29]=[C:28]([F:30])[C:26]([NH2:27])=[C:25]([F:31])[CH:24]=1>C(O)(=O)C>[Br:22][C:23]1[CH:29]=[C:28]([F:30])[C:26]([NH:27][C:11](=[NH:12])[CH2:10][C:9]([C:6]2[CH:5]=[CH:4][C:3]([F:2])=[CH:8][CH:7]=2)=[O:21])=[C:25]([F:31])[CH:24]=1 | 2 |
NCCCOC1=CC=C(C=C1)C1=CC2=C(N=CN=C2C=2C(=C(C=C(C2)F)NC(C2=C(C=C(C=C2)C(C)(C)O)F)=O)C)N1.O=C1N(CCC(N1)=O)C=1C=C(C(=O)N2CCN(CC2)CC=O)C=CC1OC>C1CCCO1.CO[H].[Cl-].[Zn+2].[Cl-].C(#N)[BH3-].[Na+]>O=C1N(CCC(N1)=O)C=1C=C(C(=O)N2CCN(CC2)CCNCCCCOC2=CC=C(C=C2)C2=CC3=C(N=CN=C3C=3C(=C(C=C(C3)F)NC(C3=C(C=C(C=C3)C(C)(C)O)F)=O)C)N2)C=CC1OC | 3 |
C(C)OC(=O)CC=1N=C(NC1C)C1=CC=CC=C1>>OCCC=1N=C(NC1C)C1=CC=CC=C1 | 5 |
Cl[CH2:2][CH2:3][CH2:4][CH2:5][O:6][C:7]1[CH:8]=[CH:9][C:10]2[CH2:16][CH2:15][NH:14][C:13](=[O:17])[NH:12][C:11]=2[CH:18]=1.[Cl:19][C:20]1[CH:25]=[C:24]([F:26])[CH:23]=[CH:22][C:21]=1[N:27]1[CH2:32][CH2:31][NH:30][CH2:29][CH2:28]1.C(=O)([O-])[O-].[K+].[K+]>>[Cl:19][C:20]1[CH:25]=[C:24]([F:26])[CH:23]=[CH:22][C:21]=1[N:27]1[CH2:28][CH2:29][N:30]([CH2:2][CH2:3][CH2:4][CH2:5][O:6][C:7]2[CH:8]=[CH:9][C:10]3[CH2:16][CH2:15][NH:14][C:13](=[O:17])[NH:12][C:11]=3[CH:18]=2)[CH2:31][CH2:32]1 | 2 |
[O:1]([CH3:21])[C:2]([C@@H:4]1[CH:19]=[C:18]2[C@@H:8]([CH2:9][CH:10]3[C:20]4[C:13](=[CH:14][CH:15]=[CH:16][C:17]2=4)[NH:12][CH2:11]3)[N:6]([CH3:7])[CH2:5]1)=[O:3].B(F)(F)F.CCOCC.S(Cl)([Cl:34])(=O)=O>C(Cl)Cl>[Cl:34][CH:11]1[NH:12][C:13]2[C:20]3[CH:10]1[CH2:9][C@@H:8]1[C:18]([C:17]=3[CH:16]=[CH:15][CH:14]=2)=[CH:19][C@@H:4]([C:2](=[O:3])[O:1][CH3:21])[CH2:5][N:6]1[CH3:7] | 1 |
C(O)(=O)C.[F:5][C:6]([F:26])([F:25])[O:7][C:8]1[CH:13]=[CH:12][C:11]([N:14]2[CH2:18][CH2:17][C:16]3([CH2:23][CH2:22][NH:21][CH2:20][CH2:19]3)[C:15]2=[O:24])=[CH:10][CH:9]=1.[N:27]1[CH:32]=[CH:31][CH:30]=[C:29]([S:33](Cl)(=[O:35])=[O:34])[CH:28]=1.Cl>>[N:27]1[CH:32]=[CH:31][CH:30]=[C:29]([S:33]([N:21]2[CH2:20][CH2:19][C:16]3([C:15](=[O:24])[N:14]([C:11]4[CH:12]=[CH:13][C:8]([O:7][C:6]([F:5])([F:25])[F:26])=[CH:9][CH:10]=4)[CH2:18][CH2:17]3)[CH2:23][CH2:22]2)(=[O:35])=[O:34])[CH:28]=1 | 1 |
[NH2:1][C:2]1[CH:3]=[C:4]([C:8]([C:10]2[C:14]3[CH:15]=[N:16][CH:17]=[C:18]([F:19])[C:13]=3[N:12]([C:20]([CH3:31])([CH3:30])[CH2:21][O:22][Si:23]([C:26]([CH3:29])([CH3:28])[CH3:27])([CH3:25])[CH3:24])[CH:11]=2)=[O:9])[CH:5]=[N:6][CH:7]=1.[CH3:32][C:33]1[N:37]([CH2:38][C:39](O)=[O:40])[N:36]=[C:35]([C:42]([F:45])([F:44])[F:43])[CH:34]=1.CCN(C(C)C)C(C)C.C(P1(=O)OP(CCC)(=O)OP(CCC)(=O)O1)CC>C1COCC1>[C:26]([Si:23]([CH3:24])([CH3:25])[O:22][CH2:21][C:20]([N:12]1[C:13]2[C:18]([F:19])=[CH:17][N:16]=[CH:15][C:14]=2[C:10]([C:8]([C:4]2[CH:3]=[C:2]([NH:1][C:39](=[O:40])[CH2:38][N:37]3[C:33]([CH3:32])=[CH:34][C:35]([C:42]([F:45])([F:44])[F:43])=[N:36]3)[CH:7]=[N:6][CH:5]=2)=[O:9])=[CH:11]1)([CH3:31])[CH3:30])([CH3:29])([CH3:28])[CH3:27] | 1 |
FC=1C=C(C=C(C1)C1(CC1)C(F)(F)F)CO>>ClCC1=CC(=CC(=C1)C1(CC1)C(F)(F)F)F | 5 |
[O:1]1CCO[CH:2]1[CH2:6][N:7]1[C:16]2[C:11](=[CH:12][CH:13]=[C:14]([O:17][CH3:18])[CH:15]=2)[CH:10]=[C:9]([C:19]([O:21][CH3:22])=[O:20])[C:8]1=[O:23].FC(F)(F)C(O)=O>>[CH3:18][O:17][C:14]1[CH:15]=[C:16]2[C:11]([CH:10]=[C:9]([C:19]([O:21][CH3:22])=[O:20])[C:8](=[O:23])[N:7]2[CH2:6][CH:2]=[O:1])=[CH:12][CH:13]=1 | 1 |
[NH2:1][C:2]1[CH:25]=[C:24]([Cl:26])[CH:23]=[CH:22][C:3]=1[O:4][CH2:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([O:14][C:15]2[CH:20]=[CH:19][C:18]([F:21])=[CH:17][CH:16]=2)[CH2:10][CH2:9]1)=[O:7].C([N:29]([CH2:32]C)CC)C.C1([O:40]C(Cl)=O)C=CC=CC=1>ClCCl>[Cl:26][C:24]1[CH:23]=[CH:22][C:3]([O:4][CH2:5][C:6]([N:8]2[CH2:13][CH2:12][CH:11]([O:14][C:15]3[CH:20]=[CH:19][C:18]([F:21])=[CH:17][CH:16]=3)[CH2:10][CH2:9]2)=[O:7])=[C:2]([NH:1][C:32]([NH2:29])=[O:40])[CH:25]=1 | 2 |
COCCN.C(C)(=O)N1[C@H]([C@@H]([C@H](C2=CC(=CC=C12)C(=O)O)NC1=NC(=CC=C1)C)C)C1CC1>>C(C)(=O)N1[C@H]([C@@H]([C@H](C2=CC(=CC=C12)C(=O)NCCOC)NC1=NC(=CC=C1)C)C)C1CC1 | 5 |
C(CCCCCCCCCCCCCCCCC)(=O)Cl.FC1=C(C=C2CNCC(C2=O)=CC2=C(C=CC=C2)F)C=CC=C1>CCN(CC)CC.C([O-])([O-])=O.[K+].[K+].ClCCCl>C(CCCCCCCCCCCCCCCCC)(=O)N1CC(C(C(C1)=CC1=C(C=CC=C1)F)=O)=CC1=C(C=CC=C1)F | 3 |
C(C1=CC=CC=C1)OC=1C(=NC(=NC1C)CC(OC)OC)C(=O)NCC(=O)OCC.FC1=CC=C(C=C1)C(CO)CO>>C(C1=CC=CC=C1)OC=1C(=NC(=NC1C)C[C@@H]1OC[C@H](CO1)C1=CC=C(C=C1)F)C(=O)NCC(=O)OCC.C(C1=CC=CC=C1)OC=1C(=NC(=NC1C)C[C@@H]1OC[C@@H](CO1)C1=CC=C(C=C1)F)C(=O)NCC(=O)OCC | 5 |
CON(C)[C:4]([C:6]1[C:15](=[O:16])[C:14]2[C:9](=[CH:10][CH:11]=[CH:12][CH:13]=2)[N:8]([CH2:17][C:18]2[CH:23]=[CH:22][CH:21]=[C:20]([Br:24])[N:19]=2)[CH:7]=1)=[O:5].[CH3:26][C:27]1[CH:32]=[C:31]([CH3:33])[CH:30]=[CH:29][C:28]=1[Mg]Br>C1COCC1>[Br:24][C:20]1[N:19]=[C:18]([CH2:17][N:8]2[C:9]3[C:14](=[CH:13][CH:12]=[CH:11][CH:10]=3)[C:15](=[O:16])[C:6]([C:4](=[O:5])[C:28]3[CH:29]=[CH:30][C:31]([CH3:33])=[CH:32][C:27]=3[CH3:26])=[CH:7]2)[CH:23]=[CH:22][CH:21]=1 | 1 |
O[C@H]1C[C@@H](N(C1)C(=O)OC(C)(C)C)C(=O)OC>>COC(=O)[C@@H]1N(C[C@@H](C1)F)C(=O)OC(C)(C)C | 5 |
BrC[C@](C(=O)NC1=CC=C(C=C1)OC)(C)O>>BrC[C@](C(=O)NC1=CC=C(C=C1)O)(C)O | 5 |
C(=O)(OC(C)(C)C)N1CCNCC1.ClC1=NC=NC2=CC=CC=C12>Cl.C(C)(C)N(C(C)C)CC.CC(C)O>N1(CCNCC1)C1=NC=NC2=CC=CC=C12 | 3 |
CI.C(C)(=O)N1CCN(CC1)CC(C)(C)NC(OCC1=CC=CC=C1)=O>>[I-].C(C)(=O)N1CC[N+](CC1)(C)CC(C)(C)NC(=O)OCC1=CC=CC=C1 | 5 |
C(C)OC(C(CCCCCCC)C=1C=NC(=NC1)C)=O>CCO[H].[OH-].[Na+]>CC1=NC=C(C=N1)C(C(=O)O)CCCCCCC | 3 |
COC1=C(C=CC=C1)C(CC)=O>C(Cl)(Cl)(Cl)[H].BrBr>BrC(C(=O)C1=C(C=CC=C1)OC)C | 3 |
BrC(C(=O)OC)C.Cl.NC1=C(C(=O)O)C=C(C(=C1)Br)F>O.CO[H].[OH-].[Na+].C([O-])([O-])=O.[K+].[K+]>BrC1=CC(=C(C(=O)O)C=C1F)NC(C)C(=O)O | 3 |
OCC[C@H]1N(CCC1)C(=O)OC(C)(C)C>ClCCl.c1ccncc1.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O.C(O)([O-])=O.[Na+].[O-]S(=O)(=S)[O-].[Na+].[Na+]>C(C)(C)(C)OC(=O)N1[C@@H](CCC1)CC=O | 3 |
N(=O)OC(C)(C)C.COC1=CC=C(C=C1)B(O)O>O1CCOCC1>COC1=CC=C(C=C1)N=O | 3 |
COC1=CC=C(C=C1)CN(C1=CC(=C(C(=N1)C1=CC=2N=C(N=C3N(CCOC(=C1Cl)C32)CC=3C(=NC=CC3)N(C(OC(C)(C)C)=O)C(=O)OC(C)(C)C)OCC3(COC3)N(C)C)C(F)(F)F)C)CC3=CC=C(C=C3)OC>C(=O)(C(F)(F)F)O>NC1=NC=CC=C1CN1CCOC=2C=3C1=NC(=NC3C=C(C2Cl)C2=C(C(=CC(=N2)N)C)C(F)(F)F)OCC2(COC2)N(C)C | 3 |
C1(CCCC1)NC1=C2C(=NC=C1C(=O)OCC)N(N=C2)CC>[OH-].[Na+].C(C)O.O>C1(CCCC1)NC1=C2C(=NC=C1C(=O)O)N(N=C2)CC | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:10]=[CH:11][C:12]=1[OH:13])[C:5]([O:7][CH2:8][CH3:9])=[O:6].C1C=CC(N[S:21]([C:24]([F:27])([F:26])[F:25])(=[O:23])=[O:22])=CC=1>C(Cl)Cl.CN(C1C=CN=CC=1)C>[Cl:1][C:2]1[CH:3]=[C:4]([CH:10]=[CH:11][C:12]=1[O:13][S:21]([C:24]([F:27])([F:26])[F:25])(=[O:23])=[O:22])[C:5]([O:7][CH2:8][CH3:9])=[O:6] | 1 |
[Br:1][C:2]1[CH:3]=[N:4][C:5]([CH3:13])=[C:6]([CH:12]=1)[C:7](OCC)=[O:8].[BH4-].[Na+]>CO>[Br:1][C:2]1[CH:12]=[C:6]([CH2:7][OH:8])[C:5]([CH3:13])=[N:4][CH:3]=1 | 2 |
BrC=1C=NC(=NC1)Cl.C(=C\C)/B(O)O>>ClC1=NC=C(C=N1)\C=C\C | 5 |
O1CCC(CC1)C(=O)O.FC1=CC=C(C=C1)OC(N(C)[C@H]1CNC[C@@H]1C1=CC(=C(C=C1)Cl)Cl)=O>>FC1=CC=C(C=C1)OC(N(C)[C@H]1CN(C[C@@H]1C1=CC(=C(C=C1)Cl)Cl)C(=O)C1CCOCC1)=O | 5 |
CI.ClC1=C(C(=CC(=N1)C(=O)O)NC)[N+](=O)[O-]>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>ClC1=C(C(=CC(=N1)C(=O)OC)NC)[N+](=O)[O-] | 3 |
[Cl:1][C:2]1[CH:26]=[CH:25][C:5]([C:6]([NH:8][CH:9]([CH2:13][C:14]2[C:23]3[C:18](=[CH:19][CH:20]=[CH:21][CH:22]=3)[NH:17][C:16](=[O:24])[CH:15]=2)[C:10]([OH:12])=[S:11])=[O:7])=[CH:4][CH:3]=1.[C:27]([C:29]1[CH:30]=[C:31]([CH:34]=[CH:35][CH:36]=1)[CH2:32]Cl)#[N:28]>>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([C:6]([NH:8][CH:9]([CH2:13][C:14]2[C:23]3[C:18](=[CH:19][CH:20]=[CH:21][CH:22]=3)[NH:17][C:16](=[O:24])[CH:15]=2)[C:10]([S:11][CH2:32][C:31]2[CH:34]=[CH:35][CH:36]=[C:29]([C:27]#[N:28])[CH:30]=2)=[O:12])=[O:7])=[CH:25][CH:26]=1 | 2 |
OCC1=CC=C(O1)C=O.NC=1C=C2C(=C(C=NC2=C(C1)C(=O)N(C)C)C#N)NC1=CC(=C(C=C1)F)Cl>>ClC=1C=C(C=CC1F)NC1=C(C=NC2=C(C=C(C=C12)NCC=1OC(=CC1)CO)C(=O)N(C)C)C#N | 5 |
CS(C)=O.C(Cl)(=O)C(Cl)=O.[CH3:11][Si:12]([CH3:24])([CH3:23])[C:13]#[C:14][C:15]#[C:16][CH2:17][CH2:18]/[CH:19]=[CH:20]/[CH2:21][OH:22].C(N(CC)CC)C>C(Cl)Cl>[CH3:24][Si:12]([CH3:11])([CH3:23])[C:13]#[C:14][C:15]#[C:16][CH2:17][CH2:18]/[CH:19]=[CH:20]/[CH:21]=[O:22] | 2 |
[Si](C)(C)(C(C)(C)C)OC(CC(C1=CC(=C(C=C1)Cl)F)N1C(C=C(C=C1)C1=NC(=NC=C1)NC1CCOCC1)=O)C>CO[H].Cl.C(O)([O-])=O.[Na+]>ClC1=C(C=C(C=C1)C(CC(C)O)N1C(C=C(C=C1)C1=NC(=NC=C1)NC1CCOCC1)=O)F | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C(C(C)C)N1C(=CC2=CC(=CC=C12)[N+](=O)[O-])C(=O)O>C1CCCO1.C1(=CC=NC=C1)N(C)C.CCN(CC)CC>C(C(C)C)N1C(=CC2=CC(=CC=C12)[N+](=O)[O-])C(=O)OC(C)(C)C | 3 |
ClC=1NC(C2=C(N1)N(C=C2)CCO)=O.FC1=C(C(=CC(=C1)OCCOC)F)N1CCNCC1>>FC1=C(C(=CC(=C1)OCCOC)F)N1CCN(CC1)C=1NC(C2=C(N1)N(C=C2)CCO)=O | 5 |
ClC=1C=C(C(=NC1)F)F.COC(C1=CC(=C(C=C1)Cl)O)=O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>ClC1=C(C=C(C(=O)OC)C=C1)OC1=NC=C(C=C1F)Cl | 3 |
[CH3:1][C@H:2]1[CH2:7][CH2:6][C@H:5]([C:8]([N:10]([CH:33]([CH3:35])[CH3:34])[C:11]2[CH:15]=[C:14]([C:16]3[CH:21]=[CH:20][C:19]([NH:22][C:23]([C:25]4[N:26]=[CH:27][S:28][CH:29]=4)=[O:24])=[CH:18][CH:17]=3)[S:13][C:12]=2[C:30]([OH:32])=[O:31])=[O:9])[CH2:4][CH2:3]1.[OH-].[Mg+2:37].[OH-].CC(O)C.O>C(C(C)=O)C(C)C>[CH3:1][C@H:2]1[CH2:7][CH2:6][C@H:5]([C:8]([N:10]([CH:33]([CH3:35])[CH3:34])[C:11]2[CH:15]=[C:14]([C:16]3[CH:17]=[CH:18][C:19]([NH:22][C:23]([C:25]4[N:26]=[CH:27][S:28][CH:29]=4)=[O:24])=[CH:20][CH:21]=3)[S:13][C:12]=2[C:30]([O-:32])=[O:31])=[O:9])[CH2:4][CH2:3]1.[Mg+2:37].[CH3:1][C@H:2]1[CH2:7][CH2:6][C@H:5]([C:8]([N:10]([C:11]2[CH:15]=[C:14]([C:16]3[CH:17]=[CH:18][C:19]([NH:22][C:23]([C:25]4[N:26]=[CH:27][S:28][CH:29]=4)=[O:24])=[CH:20][CH:21]=3)[S:13][C:12]=2[C:30]([O-:32])=[O:31])[CH:33]([CH3:34])[CH3:35])=[O:9])[CH2:4][CH2:3]1 | 2 |
C1(=CC=CC=C1)P(=O)(C=1C=CC=C2CCC(NC12)C)C1=CC=CC=C1>>C1(=CC=CC=C1)P(C=1C=CC=C2CCC(NC12)C)C1=CC=CC=C1 | 5 |
[C:1]1([C:7]2[N:12]=[C:11]([NH:13][C:14]([C:16]3([C:19]4[CH:29]=[CH:28][C:22]5[O:23][C:24]([F:27])([F:26])[O:25][C:21]=5[CH:20]=4)[CH2:18][CH2:17]3)=[O:15])[CH:10]=[CH:9][C:8]=2[CH3:30])[CH2:6][CH2:5][CH2:4][CH2:3][CH:2]=1.[H][H]>[Pd].CO>[CH:1]1([C:7]2[N:12]=[C:11]([NH:13][C:14]([C:16]3([C:19]4[CH:29]=[CH:28][C:22]5[O:23][C:24]([F:27])([F:26])[O:25][C:21]=5[CH:20]=4)[CH2:18][CH2:17]3)=[O:15])[CH:10]=[CH:9][C:8]=2[CH3:30])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1 | 1 |
ClC=1C=C(C=CC1)B(O)O.C(C)(C)(C)OC(=O)N1[C@@H](CCC1=O)CC1=CC=C(C=C1)Br>O.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2]>ClC=1C=C(C=CC1)C1=CC=C(C=C1)C[C@@H]1C[C@H](C(N1C(C(C)(C)C)=O)=O)O | 3 |
C(C)S(=O)(=O)N1CCC(CC1)C1=CNC2=C(C=C(C=C12)C1=CC(=C(C(=C1)OC)OC)C=O)C(=O)N>>CN(C)CC=1C=C(C=C(C1OC)OC)C=1C=C2C(=CNC2=C(C1)C(=O)N)C1CCN(CC1)S(=O)(=O)CC | 5 |
O(C1=CC=CC=C1)C1=CC=C(C=O)C=C1>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>C1(=CC=CC=C1)OC1=CC=C(C=C1)CO | 3 |
FC1=C(C=CC(=C1)C)C1=C(C(=NS1)O)C#N>ClCCl.CCN(CC)CC.C(C)(=O)OCC.FC(S(=O)(=O)OS(=O)(=O)C(F)(F)F)(F)F>FC(S(=O)(=O)OC1=NSC(=C1C#N)C1=C(C=C(C=C1)C)F)(F)F | 3 |
Cl[C:2]1[C:11]2[C:6](=[C:7]([O:14][CH3:15])[C:8]([O:12][CH3:13])=[CH:9][CH:10]=2)[CH:5]=[C:4]([NH:16][C:17]2[CH:21]=[C:20]([CH3:22])[NH:19][N:18]=2)[N:3]=1.[CH3:23][OH:24]>>[CH3:23][O:24][C:2]1[C:11]2[C:6](=[C:7]([O:14][CH3:15])[C:8]([O:12][CH3:13])=[CH:9][CH:10]=2)[CH:5]=[C:4]([NH:16][C:17]2[CH:21]=[C:20]([CH3:22])[NH:19][N:18]=2)[N:3]=1 | 1 |
Br[C:2]1[C:7]([C:8]([OH:11])([CH3:10])[CH3:9])=[CH:6][CH:5]=[CH:4][N:3]=1.[F:12][C:13]1[CH:18]=[CH:17][C:16](/[CH:19]=[CH:20]/[C:21]2[CH:26]=[CH:25][C:24]([S:27]([O-:29])=[O:28])=[CH:23][CH:22]=2)=[CH:15][CH:14]=1.[Na+]>>[F:12][C:13]1[CH:14]=[CH:15][C:16](/[CH:19]=[CH:20]/[C:21]2[CH:26]=[CH:25][C:24]([S:27]([C:2]3[C:7]([C:8]([OH:11])([CH3:10])[CH3:9])=[CH:6][CH:5]=[CH:4][N:3]=3)(=[O:29])=[O:28])=[CH:23][CH:22]=2)=[CH:17][CH:18]=1 | 2 |
Cl.CON.N1C2=C(C(CCC1)=O)C=CC=C2>>CO\N=C/1\CCNCC2=C1C=CC=C2 | 5 |
COC1=C(CN)C=CC(=C1)OC.ClC1=NC2=CC=C(C=C2N=C1OC)Cl>CS(=O)C>ClC=1C=C2N=C(C(=NC2=CC1)NCC1=C(C=C(C=C1)OC)OC)OC | 3 |
C(C)(=O)Cl.NC1=CC=C(CC2N(CCC2)C)C=C1>O.C(C)OCC.CCN(CC)CC.C1=CC=CC=C1>C(C)(=O)NC1=CC=C(CC2N(CCC2)C)C=C1 | 3 |
C(C)(=O)NC1CNCC1.ClC1=NC=2N(C(=C1)Cl)N=CC2>CC#N.C(C)(C)N(C(C)C)CC>ClC1=NC=2N(C(=C1)N1CC(CC1)NC(C)=O)N=CC2 | 3 |
C([O:8][C:9]([C:11]1[CH:12]=[C:13]2[C:18](=[CH:19][CH:20]=1)[N:17]([C:21](=[O:23])[CH3:22])[C@@H:16]([CH3:24])[CH2:15][C@H:14]2[N:25]([C:32]1[CH:37]=[CH:36][C:35]([N:38]2[CH2:43][CH2:42][O:41][CH2:40][CH2:39]2)=[CH:34][CH:33]=1)[C:26](=[O:31])[C:27]([F:30])([F:29])[F:28])=[O:10])C1C=CC=CC=1>C(O)C>[C:21]([N:17]1[C:18]2[C:13](=[CH:12][C:11]([C:9]([OH:10])=[O:8])=[CH:20][CH:19]=2)[C@H:14]([N:25]([C:32]2[CH:37]=[CH:36][C:35]([N:38]3[CH2:39][CH2:40][O:41][CH2:42][CH2:43]3)=[CH:34][CH:33]=2)[C:26](=[O:31])[C:27]([F:28])([F:30])[F:29])[CH2:15][C@@H:16]1[CH3:24])(=[O:23])[CH3:22] | 1 |
ClC1=CC(=NC=N1)C(=O)OCC.C(CCC)[Sn](C1=NC=C(C=C1)C(F)(F)F)(CCCC)CCCC>[Cu]I.N(C)(C)C=O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Pd+2]>FC(C=1C=CC(=NC1)C1=CC(=NC=N1)C(=O)OCC)(F)F | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:12]([CH2:13][C:14]3[CH:15]=[C:16]([C:20]([O:22][CH3:23])=[O:21])[CH:17]=[CH:18][CH:19]=3)[C:11](=[O:24])[N:10]([CH2:25][C:26]([O:28]C)=O)[N:9]=2)=[CH:4][CH:3]=1.O.[NH2:31][NH2:32]>C(O)C>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:12]([CH2:13][C:14]3[CH:15]=[C:16]([C:20]([O:22][CH3:23])=[O:21])[CH:17]=[CH:18][CH:19]=3)[C:11](=[O:24])[N:10]([CH2:25][C:26]([NH:31][NH2:32])=[O:28])[N:9]=2)=[CH:4][CH:3]=1 | 1 |
ClC1=NC(=C2N=CN(C2=N1)C1OCCCC1)N>C(CCC)O.CC(C)(C)[O-].[Na+]>C(CCC)OC1=NC(=C2N=CN(C2=N1)C1OCCCC1)N | 3 |
C[Si](C)(C)C=[N+]=[N-].ClC=1C(=NC=CN1)C(=O)O>CO[H].ClCCl.CCCCCC>ClC=1C(=NC=CN1)C(=O)OC | 3 |
[Br:1][C:2]1[C:7]([F:8])=[CH:6][CH:5]=[C:4]([NH2:9])[C:3]=1[NH2:10].CN(C=O)C.Br[CH:17]([CH3:23])[C:18](OCC)=[O:19].C([O-])(O)=O.[Na+]>[Cl-].[Na+].O>[Br:1][C:2]1[C:7]([F:8])=[CH:6][CH:5]=[C:4]2[C:3]=1[NH:10][C:18](=[O:19])[CH:17]([CH3:23])[NH:9]2 | 1 |
NN1C(=NN=C1)S.BrC(C(=O)C=1C=CC2=C(NC(CO2)=O)C1)C1=C(C=CC=C1)Cl>>ClC1=C(C=CC=C1)C1C(=NN2C(S1)=NN=C2)C=2C=CC1=C(NC(CO1)=O)C2 | 5 |
ClC(COC(=O)Cl)(Cl)Cl.NC1=CN=NC=C1>>N1=NC=C(C=C1)NC(OCC(Cl)(Cl)Cl)=O | 5 |
[CH3:1][O:2][C:3](=[O:7])[CH2:4][CH:5]=[O:6].[N:8]([O-])=[O:9].[Na+]>C(O)(=O)C.O>[CH3:1][O:2][C:3](=[O:7])[C:4](=[N:8][OH:9])[CH:5]=[O:6] | 1 |
CC(C(=O)O)(C)C.BrC1=CC=C(C(=C1)NC)N>P(=O)(Cl)(Cl)Cl>BrC=1C=CC2=C(N(C(=N2)C(C)(C)C)C)C1 | 3 |
[F:1][C:2]1[C:3](=[O:9])[NH:4][C:5](=[O:8])[NH:6][CH:7]=1.[OH-].[K+].[N+]([O-])([O-])=O.[Ag+:16]>O>[Ag:16].[F:1][C:2]1[C:3](=[O:9])[NH:4][C:5](=[O:8])[NH:6][CH:7]=1 | 1 |
[Cl:1]([O-:5])(=[O:4])(=[O:3])=[O:2].[Na+:6].[N+:7]([O-:10])([O-:9])=[O:8]>>[N+:7]([O-:10])([O-:9])=[O:8].[Na+:6].[Cl:1]([O-:5])(=[O:4])(=[O:3])=[O:2] | 1 |
[CH3:1][C:2]1[CH2:7][CH2:6][CH2:5][C:4]([CH3:9])([CH3:8])[C:3]=1[CH:10]=O.[NH2:12][C:13]1[CH:14]=[C:15]([CH:18]=[CH:19][CH:20]=1)[C:16]#[N:17].C(O)(=O)C.C([BH3-])#N.[Na+]>CO>[CH3:1][C:2]1[CH2:7][CH2:6][CH2:5][C:4]([CH3:9])([CH3:8])[C:3]=1[CH2:10][NH:12][C:13]1[CH:14]=[C:15]([CH:18]=[CH:19][CH:20]=1)[C:16]#[N:17] | 2 |
O[C:2]1([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[C:10]2[C:5](=[CH:6][CH:7]=[C:8]([O:11][CH3:12])[CH:9]=2)[C:4](=[O:13])[O:3]1.[C:20]([O:24][C:25](=[O:33])[NH:26][CH2:27][CH2:28][NH:29][CH2:30][C:31]#[N:32])([CH3:23])([CH3:22])[CH3:21].Cl.CN(C)CCCN=C=NCC.ON1C2N=CC=CC=2N=N1.C(=O)(O)[O-].[Na+]>CN(C)C=O.O>[C:20]([O:24][C:25](=[O:33])[NH:26][CH2:27][CH2:28][N:29]([CH2:30][C:31]#[N:32])[C:4]([C:5]1[CH:6]=[CH:7][C:8]([O:11][CH3:12])=[CH:9][C:10]=1[C:2]([C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)=[O:3])=[O:13])([CH3:23])([CH3:21])[CH3:22] | 1 |
C[N:2]([CH:4]=[C:5]1[CH2:18][CH2:17][C:16]2[C:7](=[C:8]([N:19]=CN(C)C)[C:9]3[C:14]([N:15]=2)=[CH:13][CH:12]=[CH:11][CH:10]=3)[C:6]1=O)C.[CH3:25][NH:26]N>CCO>[NH2:19][C:8]1[C:9]2[C:14]([N:15]=[C:16]3[C:7]=1[C:6]1[N:26]([CH3:25])[N:2]=[CH:4][C:5]=1[CH2:18][CH2:17]3)=[CH:13][CH:12]=[CH:11][CH:10]=2 | 1 |
Cl\C=C/C(=O)O.ClC=1C=C(CNC2CC2)C=C(C1)C1=NN=CN1>ClCCl.C(C)(C)N(C(C)C)CC.CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC>Cl\C=C/C(=O)N(C1CC1)CC1=CC(=CC(=C1)C1=NN=CN1)Cl | 3 |
FC1=C(C(=O)OC)C=CC(=C1)CC1=CC(=CC=C1)F>>FC1=C(C(=O)O)C=CC(=C1)CC1=CC(=CC=C1)F | 5 |
[OH:1][C:2]1[CH:3]=[C:4]([CH:8]=[CH:9][C:10]=1[CH3:11])[C:5](O)=[O:6].B.CSC.[Cr](O[Cr]([O-])(=O)=O)([O-])(=O)=O.[NH+]1C=CC=CC=1.[NH+]1C=CC=CC=1>C1COCC1>[OH:1][C:2]1[CH:3]=[C:4]([CH:8]=[CH:9][C:10]=1[CH3:11])[CH:5]=[O:6] | 1 |
CN1[C@@H](CCC1)CO.OC=1C=C2C=CC(=CC2=CC1)C1=NN(C2=CC=C(C=C12)C#N)C1OCCCC1>>CN1C(CCC1)COC=1C=C2C=CC(=CC2=CC1)C1=NN(C2=CC=C(C=C12)C#N)C1OCCCC1 | 5 |
[F:1][C:2]1[CH:10]=[CH:9][C:8]([C:11]([F:14])([F:13])[F:12])=[CH:7][C:3]=1[CH:4]=[N:5][OH:6].[Cl:15]N1C(=O)CCC1=O>CN(C)C=O.C(OCC)(=O)C>[F:1][C:2]1[CH:10]=[CH:9][C:8]([C:11]([F:12])([F:13])[F:14])=[CH:7][C:3]=1[C:4]([Cl:15])=[N:5][OH:6] | 1 |
[CH2:1]([C:5]1[N:6]=[C:7]2[CH:22]=[C:21]([C:23]([F:26])([F:25])[F:24])[CH:20]=[CH:19][N:8]2[C:9](=[O:18])[C:10]=1[C:11]1[CH:16]=[CH:15][C:14](Cl)=[CH:13][CH:12]=1)[CH2:2][CH2:3][CH3:4].C(C1N=C2C=CC=CN2C(=O)C=1C1C=CC(Cl)=CC=1)CCC.[NH2:49][C@@H:50]1[CH2:54][CH2:53][N:52]([C:55]([O:57][C:58]([CH3:61])([CH3:60])[CH3:59])=[O:56])[CH2:51]1.NC1CCCN(C(OC(C)(C)C)=O)C1>>[CH2:1]([C:5]1[N:6]=[C:7]2[CH:22]=[C:21]([C:23]([F:26])([F:25])[F:24])[CH:20]=[CH:19][N:8]2[C:9](=[O:18])[C:10]=1[C:11]1[CH:16]=[CH:15][C:14]([NH:49][C@@H:50]2[CH2:54][CH2:53][N:52]([C:55]([O:57][C:58]([CH3:61])([CH3:60])[CH3:59])=[O:56])[CH2:51]2)=[CH:13][CH:12]=1)[CH2:2][CH2:3][CH3:4] | 2 |
C(CCC)[Sn](CCCC)(CCCC)C=1N=NC=CC1.BrC=1N=C2CCCNC2=CC1>C1(=CC=CC=C1)C.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>N1=NC(=CC=C1)C=1N=C2CCCNC2=CC1 | 3 |
C(C)(C)(C)[C@@H]1O[C@@](C(O1)=O)(C1=CC=CC=C1)[C@H]1CC(CC1)(F)F>>FC1(C[C@@H](CC1)[C@](C(=O)O)(C1=CC=CC=C1)O)F | 5 |
[BH4-].[Na+].[OH:3][C:4]1[CH:12]=[C:11]2[C:7]([CH2:8][CH2:9][CH:10]2[CH2:13][C:14]2[N:15]=[CH:16][NH:17][CH:18]=2)=[CH:6][C:5]=1[CH:19]=[O:20].O>C(O)C>[OH:20][CH2:19][C:5]1[CH:6]=[C:7]2[C:11]([CH:10]([CH2:13][C:14]3[N:15]=[CH:16][NH:17][CH:18]=3)[CH2:9][CH2:8]2)=[CH:12][C:4]=1[OH:3] | 1 |
C(C)(=O)OC1=C(C=C(C2=CC=CC(=C12)C)C=O)C(C)C>C1CCCO1.C(=O)(OCC)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1>C(C)(=O)OC1=C(C=C(C2=CC=CC(=C12)C)/C=C/C(=O)OCC)C(C)C | 3 |
ClC1=NC(=CC(=C1)C(=O)OC)C>CO[H].[HH].[Pd]>CC1=NC=CC(=C1)C(=O)OC | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([F:8])[C:3]=1[C:9]1[NH:10][C:11](=[O:22])[N:12]([C:14]2[CH:19]=[CH:18][C:17]([C:20]#[CH:21])=[CH:16][CH:15]=2)[N:13]=1.I[C:24]1[CH:25]=[N:26][C:27]([N:30]2[CH2:35][CH2:34][O:33][CH2:32][CH2:31]2)=[N:28][CH:29]=1.CCCC[N+](CCCC)(CCCC)CCCC.[F-]>Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.CS(C)=O>[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([F:8])[C:3]=1[C:9]1[NH:10][C:11](=[O:22])[N:12]([C:14]2[CH:19]=[CH:18][C:17]([C:20]#[C:21][C:24]3[CH:25]=[N:26][C:27]([N:30]4[CH2:35][CH2:34][O:33][CH2:32][CH2:31]4)=[N:28][CH:29]=3)=[CH:16][CH:15]=2)[N:13]=1 | 1 |
IC1=C(C(=O)OC)C=CC=C1.N1CC(CCC1)NC(CC1=C(N=C(S1)C1=CC=C(C=C1)Cl)C)=O>C1(=CC=CC=C1)C.[Pd].[Pd].O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.C(=O)([O-])[O-].[Cs+].[Cs+].C1(=CC=CC=C1)P([C-]1C=CC=C1)C1=CC=CC=C1.[C-]1(C=CC=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.[Fe+2]>ClC1=CC=C(C=C1)C=1SC(=C(N1)C)CC(=O)NC1CN(CCC1)C1=C(C(=O)OC)C=CC=C1 | 3 |
N1N=CC2=CC(=CC=C12)C=1NC=2N(C(C1)=O)N=CC2C(=O)NCC#C>>N1N=CC2=CC(=CC=C12)C=1NC=2N(C(C1)=O)N=CC2C=2OC(=CN2)C | 5 |
BrC1=CC(=C(C(=O)OC)C=C1)CBr>CC#N.c3c(P(c1ccccc1)c2ccccc2)cccc3>[Br-].BrC=1C=CC(=C(C1)C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)OC | 3 |
Br[C:2]1[CH:3]=[N:4][CH:5]=[CH:6][C:7]=1[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1.C1(P(C2C=CC=CC=2)C2C=CC3C(=CC=CC=3)C=2C2C3C(=CC=CC=3)C=CC=2P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[NH2:60][C:61]1[CH:62]=[C:63]2[C:67](=[CH:68][CH:69]=1)[C:66](=[O:70])[N:65]([CH2:71][CH2:72][CH2:73][CH3:74])[CH2:64]2.CC(C)([O-])C.[Na+]>C1(C)C=CC=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.[Pd].[Pd].C(OCC)(=O)C.O>[CH2:71]([N:65]1[CH2:64][C:63]2[C:67](=[CH:68][CH:69]=[C:61]([NH:60][C:2]3[CH:3]=[N:4][CH:5]=[CH:6][C:7]=3[C:8]3[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=3)[CH:62]=2)[C:66]1=[O:70])[CH2:72][CH2:73][CH3:74] | 1 |
[Br:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[O:8][CH2:7][CH2:6][CH:5]2O.CC1C=CC(S(O)(=O)=O)=CC=1>C1(C)C=CC=CC=1>[Br:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[O:8][CH2:7][CH:6]=[CH:5]2 | 2 |
FC1=CC=C(C=C1)B(O)O.ClC1=C(C=NC=C1)[N+](=O)[O-]>>FC1=CC=C(C=C1)C1=C(C=NC=C1)[N+](=O)[O-] | 5 |
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