smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(C)(C)N=CCC(C)C1=C(C=CC=C1)C1=CC=CC=C1>[HH].O1CCOCC1.[Pt]>C(C)(C)NCCC(C)C1=C(C=CC=C1)C1=CC=CC=C1 | 3 |
CNCCN.N1C(CCC1)=O.IC1=C(C=CC=C1)[N+](=O)[O-]>>C1CCC=2N1C1=C(N2)C=CC=C1 | 5 |
CN.ClC1=CC2=C(OC(CO2)CCl)C=C1>>ClC1=CC2=C(OC(CO2)CNC)C=C1 | 3 |
C(C)(C)(C)OC(=O)N[C@H](C(=O)NC/C=C/C1=CN(C2=CC=CC=C12)C(=O)OC(C)(C)C)CC>CCO[H].[HH].[Pd]>C(C)(C)(C)OC(=O)N1C=C(C2=CC=CC=C12)CCCNC([C@H](CC)NC(=O)OC(C)(C)C)=O | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([NH:9][C:10](=[O:20])[CH2:11][C:12](=O)[C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)[CH:6]=[CH:7][CH:8]=1.OP(O)(O)=O>O>[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:6]([C:12]([C:13]3[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=3)=[CH:11][C:10](=[O:20])[NH:9]2)=[CH:7][CH:8]=1.[CH3:1][O:2][C:3]1[CH:8]=[CH:7][CH:6]=[C:5]2[C:4]=1[C:12]([C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1)=[CH:11][C:10](=[O:20])[NH:9]2 | 1 |
[BH4-].[Na+].C(O)C.[NH2:6][C:7]1[C:12]2[C:13](=[O:16])[CH2:14][O:15][C:11]=2[CH:10]=[CH:9][C:8]=1[Br:17]>CC(C)=O>[NH2:6][C:7]1[C:12]2[CH:13]([OH:16])[CH2:14][O:15][C:11]=2[CH:10]=[CH:9][C:8]=1[Br:17] | 2 |
Br[C:2]1[C:7]([F:8])=[CH:6][C:5]([Br:9])=[CH:4][N:3]=1.[Si:10]([O:27][C:28]1[CH:33]=[CH:32][C:31](B(O)O)=[CH:30][CH:29]=1)([C:23]([CH3:26])([CH3:25])[CH3:24])([C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1)[C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1>>[Br:9][C:5]1[CH:6]=[C:7]([F:8])[C:2]([C:31]2[CH:30]=[CH:29][C:28]([O:27][Si:10]([C:23]([CH3:26])([CH3:25])[CH3:24])([C:17]3[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=3)[C:11]3[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=3)=[CH:33][CH:32]=2)=[N:3][CH:4]=1 | 1 |
C([O-])([O-])=O.[K+].[K+].CC(C)=O.C1(O)C=CC=CC=1.[OH:18][C:19]1[CH:26]=[CH:25][C:22]([CH2:23][OH:24])=[CH:21][CH:20]=1.Br[CH2:28][C:29]([O:31][CH3:32])=[O:30]>>[OH:24][CH2:23][C:22]1[CH:25]=[CH:26][C:19]([O:18][CH2:28][C:29]([O:31][CH3:32])=[O:30])=[CH:20][CH:21]=1 | 1 |
C([N:8]1[CH2:13][CH2:12][C:11]2([CH2:18][C:17]3[CH:19]=[CH:20][CH:21]=[CH:22][C:16]=3[C:15](=[O:23])[O:14]2)[CH2:10][CH2:9]1)C1C=CC=CC=1>[Pd].C(O)C>[NH:8]1[CH2:13][CH2:12][C:11]2([CH2:18][C:17]3[CH:19]=[CH:20][CH:21]=[CH:22][C:16]=3[C:15](=[O:23])[O:14]2)[CH2:10][CH2:9]1 | 1 |
FC(CC(C1=C(C=CC=C1)F)N1C(C2=CC=CC=C2C1=O)=O)F>CCO[H].O.NN>FC(CC(N)C1=C(C=CC=C1)F)F | 3 |
Cl[C:2]1[N:12]=[CH:11][CH:10]=[CH:9][C:3]=1[C:4]([O:6][CH2:7][CH3:8])=[O:5].[C:13]1([CH2:19][CH2:20][CH2:21][NH2:22])[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1.C(O)C>O>[C:13]1([CH2:19][CH2:20][CH2:21][NH:22][C:2]2[N:12]=[CH:11][CH:10]=[CH:9][C:3]=2[C:4]([O:6][CH2:7][CH3:8])=[O:5])[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1 | 2 |
[F:1][C:2]([F:31])([F:30])[C:3]1[CH:4]=[C:5]([CH:23]=[C:24]([C:26]([F:29])([F:28])[F:27])[CH:25]=1)[C:6]([N:8]1[CH2:13][CH2:12][NH:11][CH2:10][C@H:9]1[CH2:14][C:15]1[CH:20]=[CH:19][C:18]([CH3:21])=[C:17]([CH3:22])[CH:16]=1)=[O:7].C([N:34]([CH2:37][CH3:38])CC)C.[ClH:39].[CH3:40][O:41][C:42]1[CH:47]=[CH:46][CH:45]=[CH:44][C:43]=1C(=N)OCC>CN(C)C=O>[ClH:39].[F:31][C:2]([F:1])([F:30])[C:3]1[CH:4]=[C:5]([CH:23]=[C:24]([C:26]([F:27])([F:28])[F:29])[CH:25]=1)[C:6]([N:8]1[CH2:13][CH2:12][N:11]([C:37](=[NH:34])[CH2:38][C:43]2[CH:44]=[CH:45][CH:46]=[CH:47][C:42]=2[O:41][CH3:40])[CH2:10][C@H:9]1[CH2:14][C:15]1[CH:20]=[CH:19][C:18]([CH3:21])=[C:17]([CH3:22])[CH:16]=1)=[O:7] | 1 |
C(N(CC)CC)C.Cl.[NH2:9][CH2:10][C:11]([C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][C:14]=1[O:19][CH3:20])=[O:12].[CH3:21][O:22][C:23](=[O:33])[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][C:30](O)=[O:31].CCN=C=NCCCN(C)C.Cl>C(Cl)Cl.C(OCC)(=O)C>[CH3:21][O:22][C:23](=[O:33])[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][C:30](=[O:31])[NH:9][CH2:10][C:11]([C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][C:14]=1[O:19][CH3:20])=[O:12] | 1 |
C(#N)CC1=CNC2=CC=CC=C12>O.ClCCl.[OH-].[Na+].S(=O)(=O)(O)[O-].C(CCC)[N+](CCCC)(CCCC)CCCC>CN1C=C(C2=CC=CC=C12)CC#N | 3 |
C(C)(C)(C)S(=O)N.FC=1C=CC(=NC1)C(C(C)(C)OC)=O>C1CCCO1.[Na+].[BH4-].[O-]CC.[Ti+4].[O-]CC.[O-]CC.[O-]CC.C(O)([O-])=O.[Na+]>FC=1C=CC(=NC1)C(C(C)(C)OC)NS(=O)C(C)(C)C | 3 |
Br[C:2]1[N:7]=[CH:6][C:5]([C:8]([N:10]2[CH2:15][CH2:14][N:13]([C:16]3[C:21]([CH3:22])=[CH:20][C:19]([CH3:23])=[CH:18][N:17]=3)[CH2:12][CH2:11]2)=[O:9])=[CH:4][CH:3]=1.[CH3:24][O:25][C:26]1[CH:40]=[CH:39][C:29]([CH2:30][N:31]2[CH2:35][C:34]([CH3:37])([CH3:36])[NH:33][C:32]2=[O:38])=[CH:28][CH:27]=1>>[CH3:22][C:21]1[C:16]([N:13]2[CH2:14][CH2:15][N:10]([C:8]([C:5]3[CH:4]=[CH:3][C:2]([N:33]4[C:34]([CH3:37])([CH3:36])[CH2:35][NH:31][C:32]4=[O:38])=[N:7][CH:6]=3)=[O:9])[CH2:11][CH2:12]2)=[N:17][CH:18]=[C:19]([CH3:23])[CH:20]=1.[CH3:22][C:21]1[C:16]([N:13]2[CH2:14][CH2:15][N:10]([C:8]([C:5]3[CH:4]=[CH:3][C:2]([N:33]4[C:34]([CH3:37])([CH3:36])[CH2:35][N:31]([CH2:30][C:29]5[CH:39]=[CH:40][C:26]([O:25][CH3:24])=[CH:27][CH:28]=5)[C:32]4=[O:38])=[N:7][CH:6]=3)=[O:9])[CH2:11][CH2:12]2)=[N:17][CH:18]=[C:19]([CH3:23])[CH:20]=1 | 1 |
BrC=1C=CC(=C(C(=O)N)C1)O>C1CCCO1.[Na+].[BH4-].II>NCC1=C(C=CC(=C1)Br)O | 3 |
[CH2:1]([O:8][C:9]1[CH:10]=[C:11]2[C:15](=[CH:16][CH:17]=1)[N:14]([CH3:18])[CH:13]=[C:12]2[CH2:19][CH2:20][C:21](OCC)=[O:22])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.CC(C[AlH]CC(C)C)C.CCCCCC.C(=O)=O.CC(C)=O>ClCCl.CO>[CH2:1]([O:8][C:9]1[CH:10]=[C:11]2[C:15](=[CH:16][CH:17]=1)[N:14]([CH3:18])[CH:13]=[C:12]2[CH2:19][CH2:20][CH:21]=[O:22])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
O.[OH-].[Li+].C([O:6][C:7](=[O:33])[CH:8]([O:30][CH2:31][CH3:32])[CH2:9][C:10]1[CH:15]=[CH:14][CH:13]=[C:12]([O:16][CH2:17][CH2:18][C:19]2[CH:24]=[CH:23][C:22]([O:25][S:26]([CH3:29])(=[O:28])=[O:27])=[CH:21][CH:20]=2)[CH:11]=1)C>O.O1CCCC1>[CH2:31]([O:30][CH:8]([CH2:9][C:10]1[CH:15]=[CH:14][CH:13]=[C:12]([O:16][CH2:17][CH2:18][C:19]2[CH:24]=[CH:23][C:22]([O:25][S:26]([CH3:29])(=[O:27])=[O:28])=[CH:21][CH:20]=2)[CH:11]=1)[C:7]([OH:33])=[O:6])[CH3:32] | 1 |
N(N)C(C(=O)NS(=O)(=O)C1=CC=CC=C1)=O.COC1=C(C(=CC=C1)OC)NC(=S)C1=NC(=CC=C1)OCC>CC#N.[N+](=O)([O-])[O-].[Ag+]>COC1=C(C(=CC=C1)OC)N1C(=NN=C1C1=NC(=CC=C1)OCC)C(=O)NS(=O)(=O)C1=CC=CC=C1 | 3 |
[CH2:1]([C:8]#N)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[OH-:10].[K+].[O:12]1[CH:14]([CH2:15][CH3:16])[CH2:13]1>CN(C)C=O>[CH2:15]([CH:14]1[O:12][C:8](=[O:10])[CH:1]([C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=2)[CH2:13]1)[CH3:16] | 1 |
Cl.[C:2]([NH:6][OH:7])([CH3:5])([CH3:4])[CH3:3].[CH:8]([C:10]1[C:19]2[C:14](=[CH:15][CH:16]=[CH:17][CH:18]=2)[C:13]([S:20]([OH:23])(=[O:22])=[O:21])=[N:12][C:11]=1[S:24]([OH:27])(=[O:26])=[O:25])=O>>[C:2]([N+:6]([O-:7])=[CH:8][C:10]1[C:19]2[C:14](=[CH:15][CH:16]=[CH:17][CH:18]=2)[C:13]([S:20]([OH:23])(=[O:21])=[O:22])=[N:12][C:11]=1[S:24]([OH:27])(=[O:26])=[O:25])([CH3:5])([CH3:4])[CH3:3] | 2 |
ClC1=CC=C(C=C1)C(C=O)(C)C>>ClC1=CC=C(C=C1)C(C=CC(=O)OCC)(C)C | 5 |
CN.ClS(=O)(=O)C1=C(C=NN1C)C(=O)OCC>C1CCCO1.C([O-])([O-])=O.[K+].[K+]>CN1N=CC(=C1S(NC)(=O)=O)C(=O)OCC | 3 |
[Li]CCCC.Br[C:7]1[CH:11]=[CH:10][S:9][CH:8]=1.[Br:12][C:13]1[CH:20]=[CH:19][C:16]([CH:17]=[O:18])=[CH:15][CH:14]=1.[NH4+].[Cl-]>C1COCC1>[Br:12][C:13]1[CH:20]=[CH:19][C:16]([CH:17]([C:7]2[CH:11]=[CH:10][S:9][CH:8]=2)[OH:18])=[CH:15][CH:14]=1 | 1 |
[CH3:1][O:2][C:3]1[CH:10]=[CH:9][C:6]([CH:7]=O)=[CH:5][CH:4]=1.[NH2:11][CH2:12][CH2:13][NH:14][C:15]([O:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:16].C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].S([O-])([O-])(=O)=O.[Mg+2]>ClCCCl>[C:18]([O:17][C:15]([NH:14][CH2:13][CH2:12][NH:11][CH2:7][C:6]1[CH:9]=[CH:10][C:3]([O:2][CH3:1])=[CH:4][CH:5]=1)=[O:16])([CH3:21])([CH3:20])[CH3:19] | 1 |
[CH:1]([C:3]1[NH:4][C:5]([CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])=[CH:6][CH:7]=1)=O.[CH3:19][O:20][C:21]1[CH2:25][NH:24][C:23](=[O:26])[CH:22]=1>CS(C)=O>[CH3:19][O:20][C:21]1[C:25](=[CH:1][C:3]2[NH:4][C:5]([CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])=[CH:6][CH:7]=2)[NH:24][C:23](=[O:26])[CH:22]=1 | 1 |
[C:1]([CH2:3][C@H:4]([N:6]1[CH2:11][CH2:10][CH:9]([N:12]([C:22]2[CH:23]=[N:24][C:25]([C:28]([F:31])([F:30])[F:29])=[CH:26][CH:27]=2)[C:13](=O)[C:14]2[C:19]([CH3:20])=[CH:18][CH:17]=[N:16][CH:15]=2)[CH2:8][CH2:7]1)[CH3:5])#[N:2].B.C1COCC1>C1COCC1>[NH2:2][CH2:1][CH2:3][C@H:4]([N:6]1[CH2:11][CH2:10][CH:9]([N:12]([CH2:13][C:14]2[CH:15]=[N:16][CH:17]=[CH:18][C:19]=2[CH3:20])[C:22]2[CH:23]=[N:24][C:25]([C:28]([F:31])([F:30])[F:29])=[CH:26][CH:27]=2)[CH2:8][CH2:7]1)[CH3:5] | 1 |
C(=O)(OCC1C2=CC=CC=C2C2=CC=CC=C12)Cl.C(C)(C)(C)OC(=O)N1CC(CC(C1)O)(F)F>CCN(CC)CC.Cl>FC1(CN(CC(C1)O)C(=O)OCC1C2=CC=CC=C2C=2C=CC=CC12)F | 3 |
[NH2:1][C:2]1[C:7]([O:8][CH2:9][CH:10]2[CH2:15][CH2:14][N:13]([C:16]3[N:21]=[C:20]([O:22][CH2:23][CH:24]4[CH2:26][C:25]4([F:28])[F:27])[N:19]=[C:18](C(C#N)C#N)[N:17]=3)[CH2:12][CH2:11]2)=[CH:6][N:5]=[CH:4][N:3]=1.[F:34][C:35]1([F:40])[CH2:38][CH:37]([NH2:39])[CH2:36]1.C1C=C(Cl)C=C([C:48](OO)=[O:49])C=1>CC#N>[NH2:1][C:2]1[C:7]([O:8][CH2:9][CH:10]2[CH2:11][CH2:12][N:13]([C:16]3[N:21]=[C:20]([O:22][CH2:23][CH:24]4[CH2:26][C:25]4([F:27])[F:28])[N:19]=[C:18]([C:48]([NH:39][CH:37]4[CH2:38][C:35]([F:40])([F:34])[CH2:36]4)=[O:49])[N:17]=3)[CH2:14][CH2:15]2)=[CH:6][N:5]=[CH:4][N:3]=1 | 2 |
[Cl:1][CH2:2][C:3]1[N:4]=[C:5]2[S:12][CH:11]=[N:10][N:6]2[C:7](=[O:9])[CH:8]=1.S(Cl)([Cl:16])(=O)=O>ClC(Cl)C>[Cl:16][C:8]1[C:7](=[O:9])[N:6]2[N:10]=[CH:11][S:12][C:5]2=[N:4][C:3]=1[CH2:2][Cl:1] | 1 |
[C:1]([C:9]1[CH:18]=[CH:17][C:12]([O:13][CH2:14][CH2:15][NH2:16])=[CH:11][CH:10]=1)(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH2:19]([S:21][C:22](Cl)=[O:23])[CH3:20].C(=O)([O-])[O-].[K+].[K+]>CC(C)=O>[CH2:19]([S:21][C:22](=[O:23])[NH:16][CH2:15][CH2:14][O:13][C:12]1[CH:11]=[CH:10][C:9]([C:1](=[O:8])[C:2]2[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=2)=[CH:18][CH:17]=1)[CH3:20] | 1 |
Cl[C:2]1[N:3]=[CH:4][C:5]2[C:10]([CH:11]=1)=[CH:9][CH:8]=[CH:7][CH:6]=2.[OH:12][CH2:13][CH2:14][N:15]1[CH2:20][CH2:19][NH:18][CH2:17][CH2:16]1.C1(N)C(F)=C(F)C(F)=C(N)C=1F.Cl.Cl>>[OH:12][CH2:13][CH2:14][N:15]1[CH2:20][CH2:19][N:18]([C:2]2[N:3]=[CH:4][C:5]3[C:10]([CH:11]=2)=[CH:9][CH:8]=[CH:7][CH:6]=3)[CH2:17][CH2:16]1 | 1 |
[NH:1]1[CH2:6][CH2:5][C:4]2([C:11]3[S:12][CH:13]=[CH:14][C:10]=3[CH2:9][CH2:8][O:7]2)[CH2:3][CH2:2]1.C(=O)(OC(C)(C)C)[O:16][C:17]([O:19][C:20]([CH3:23])([CH3:22])[CH3:21])=O.[Cl-].[Na+]>CC1CCCO1>[N:1]1([C:17]([O:19][C:20]([CH3:23])([CH3:22])[CH3:21])=[O:16])[CH2:2][CH2:3][C:4]2([C:11]3[S:12][CH:13]=[CH:14][C:10]=3[CH2:9][CH2:8][O:7]2)[CH2:5][CH2:6]1 | 1 |
Br[CH2:2][CH2:3][CH:4]([NH:11]C(OC(C)(C)C)=O)[C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1.[F:19][C:20]1[CH:25]=[CH:24][C:23]([CH:26]([CH:28]2[CH2:33][CH2:32][NH:31][CH2:30][CH2:29]2)[OH:27])=[CH:22][CH:21]=1>>[NH2:11][CH:4]([C:5]1[CH:6]=[CH:7][CH:8]=[CH:9][CH:10]=1)[CH2:3][CH2:2][N:31]1[CH2:32][CH2:33][CH:28]([CH:26]([C:23]2[CH:22]=[CH:21][C:20]([F:19])=[CH:25][CH:24]=2)[OH:27])[CH2:29][CH2:30]1 | 1 |
CS(=O)(=O)N1CCNCC1.BrC=1C=C(C(=NC1)C=O)F>>BrC=1C=C(C(=NC1)CN1CCN(CC1)S(=O)(=O)C)F.BrC=1C=C(C(=NC1)C(=O)N1CCN(CC1)S(=O)(=O)C)F | 5 |
[Br-:1].C([O:5][C:6]1[C:15]2[N+:10](=[CH:11][CH:12]=[CH:13][CH:14]=2)[CH:9]=[CH:8][C:7]=1[Br:16])(=O)C.[O:17]([C:24]1[CH:30]=[CH:29][C:27]([NH2:28])=[CH:26][CH:25]=1)[C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1.CCOCC>C(O)(C)C>[O:17]([C:24]1[CH:25]=[CH:26][C:27]([NH3+:28])=[CH:29][CH:30]=1)[C:18]1[CH:19]=[CH:20][CH:21]=[CH:22][CH:23]=1.[Br-:16].[Br:16][C:7]1[CH:8]=[CH:9][N+:10]2[C:15](=[CH:14][CH:13]=[CH:12][CH:11]=2)[C:6]=1[OH:5].[Br-:1] | 1 |
[CH2:1]([C:5]1[CH:10]=[CH:9][C:8]([CH2:11][OH:12])=[CH:7][CH:6]=1)[CH2:2][C:3]#[CH:4].[Cl:13][C:14]1[CH:19]=[CH:18][C:17]([C:20]2[CH:21]=[CH:22][C:23](I)=[N:24][CH:25]=2)=[CH:16][CH:15]=1>C(N(CC)CC)C.CN(C=O)C.CCOC(C)=O.CO.[Cu]I.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>[Cl:13][C:14]1[CH:15]=[CH:16][C:17]([C:20]2[CH:21]=[CH:22][C:23]([C:4]#[C:3][CH2:2][CH2:1][C:5]3[CH:6]=[CH:7][C:8]([CH2:11][OH:12])=[CH:9][CH:10]=3)=[N:24][CH:25]=2)=[CH:18][CH:19]=1 | 1 |
[OH:1][C:2]1[CH:7]=[CH:6][C:5]([P:8](=[O:23])([C:16]2[CH:21]=[CH:20][C:19]([OH:22])=[CH:18][CH:17]=2)[C:9]2[CH:14]=[CH:13][C:12]([OH:15])=[CH:11][CH:10]=2)=[CH:4][CH:3]=1.BrC1C=CC=CC=1OC.[PH3]=O.[CH3:35][C:36]([C:45]1[CH:50]=[CH:49][C:48]([OH:51])=[CH:47][CH:46]=1)([C:38]1[CH:43]=[CH:42][C:41]([OH:44])=[CH:40][CH:39]=1)[CH3:37].[CH2:52]1[O:54][CH:53]1[CH2:55][Cl:56]>>[OH:1][C:2]1[CH:3]=[CH:4][C:5]([P:8](=[O:23])([C:9]2[CH:14]=[CH:13][C:12]([OH:15])=[CH:11][CH:10]=2)[C:16]2[CH:17]=[CH:18][C:19]([OH:22])=[CH:20][CH:21]=2)=[CH:6][CH:7]=1.[CH3:37][C:36]([C:38]1[CH:43]=[CH:42][C:41]([OH:44])=[CH:40][CH:39]=1)([C:45]1[CH:46]=[CH:47][C:48]([OH:51])=[CH:49][CH:50]=1)[CH3:35].[CH2:52]1[O:54][CH:53]1[CH2:55][Cl:56] | 1 |
BrC=1C=C2C=CC3=C(NC(=N3)[C@H]3N([C@@H]4C[C@@H]4C3)C(=O)OC(C)(C)C)C2=CC1>>CC1(OB(OC1(C)C)C=1C=C2C=CC3=C(NC(=N3)[C@H]3N([C@@H]4C[C@@H]4C3)C(=O)OC(C)(C)C)C2=CC1)C | 5 |
NC1=NC=2C=CC=CC2C2=C1N=C(N2CC2=CC=C(CNC(=O)C1(CCC1)C)C=C2)CCCC>Cl.[OH-].[Na+].C.CSC.B(F)(F)F>C(CCC)C=1N(C2=C(C(=NC=3C=CC=CC23)N)N1)CC1=CC=C(C=C1)CNCC1(CCC1)C | 3 |
[CH:1]1([C:4](=O)[CH2:5][C:6]([O:8]C)=O)[CH2:3][CH2:2]1.[CH3:11][NH:12][NH2:13]>C1(C)C=CC=CC=1>[CH:1]1([C:4]2[CH2:5][C:6](=[O:8])[N:12]([CH3:11])[N:13]=2)[CH2:3][CH2:2]1 | 2 |
[C:1]([C:4]1[CH:17]=[CH:16][C:7]2[O:8][CH2:9][CH:10](S(C)(=O)=O)[CH2:11][C:6]=2[C:5]=1[OH:18])(=[O:3])[CH3:2].[OH:19][C:20]1[CH:25]=[CH:24][C:23]([CH2:26][C:27]([O:29][CH3:30])=[O:28])=[CH:22][C:21]=1[CH2:31][CH2:32][CH3:33].[H-].[Na+].C1OCCOCCOCCOCCOC1.[H][H].Cl>C1(C)C=CC=CC=1>[C:1]([C:4]1[CH:17]=[CH:16][C:7]2[O:8][CH2:9][CH:10]([O:19][C:20]3[CH:25]=[CH:24][C:23]([CH2:26][C:27]([O:29][CH3:30])=[O:28])=[CH:22][C:21]=3[CH2:31][CH2:32][CH3:33])[CH2:11][C:6]=2[C:5]=1[OH:18])(=[O:3])[CH3:2] | 1 |
ClCCCCC(=O)C=1C=C(C2=C(CCO2)C1)[N+](=O)[O-]>[Fe].Cl.C(C)(=O)O>NC1=CC(=CC=2CCOC21)C(CCCCCl)=O | 3 |
BrC=1C(=C(C(=O)OC)C(=CC1)SC)F>O.CC(C)C[AlH]CC(C)C.ClCCl>BrC=1C(=C(C(=CC1)SC)CO)F | 3 |
[OH:1][C:2]1[CH:11]=[CH:10][CH:9]=[C:8]2[C:3]=1[CH2:4][CH2:5][C:6](=[O:12])[NH:7]2.[C:13]1([S:19][CH2:20][CH2:21][CH2:22][CH2:23]Br)[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1>>[C:13]1([S:19][CH2:20][CH2:21][CH2:22][CH2:23][O:1][C:2]2[CH:11]=[CH:10][CH:9]=[C:8]3[C:3]=2[CH2:4][CH2:5][C:6](=[O:12])[NH:7]3)[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1 | 1 |
C1(=CC(=CC(=C1)C)C)C.ON1C(C=2C(C1=O)=CC=CC2)=O.CC=1C=C(C#N)C=C(C1)C.CC=1C=C(C=NO)C=C(C1)C.CC=1C=C(C=O)C=C(C1)C>>C(C)(=O)OCC1=CC(=CC(=C1)C)C | 5 |
Cl[C:2]1[C:3]2[C:16]3[CH2:17][CH2:18][CH2:19][CH2:20][C:15]=3[S:14][C:4]=2[N:5]=[C:6]([C:8]2[CH:13]=[CH:12][N:11]=[CH:10][CH:9]=2)[N:7]=1.C(O[C:26](=O)[NH:27][CH2:28][CH2:29][OH:30])(C)(C)C.[H-].[Na+]>CC(N(C)C)=O.O>[CH3:26][NH:27][CH2:28][CH2:29][O:30][C:2]1[C:3]2[C:16]3[CH2:17][CH2:18][CH2:19][CH2:20][C:15]=3[S:14][C:4]=2[N:5]=[C:6]([C:8]2[CH:13]=[CH:12][N:11]=[CH:10][CH:9]=2)[N:7]=1 | 2 |
C(C)OC(CCNC(=O)C=1N=C(C2=C(N1)SC(=C2)CCC)N2CC=1N(CC2)C(=NN1)C(F)(F)F)=O>>C(CC)C1=CC2=C(N=C(N=C2N2CC=3N(CC2)C(=NN3)C(F)(F)F)C(=O)NCCC(=O)O)S1 | 5 |
Br[CH2:2][CH2:3][N:4]1[C:8]([CH2:9]Br)=[CH:7][C:6]([N+:11]([O-:13])=[O:12])=[N:5]1.[O:14]1[CH2:17][CH:16]([NH2:18])[CH2:15]1.CCN(C(C)C)C(C)C>>[N+:11]([C:6]1[CH:7]=[C:8]2[CH2:9][N:18]([CH:16]3[CH2:17][O:14][CH2:15]3)[CH2:2][CH2:3][N:4]2[N:5]=1)([O-:13])=[O:12] | 1 |
IC=1C(=C(C(=O)O)C=CC1)C>>COC(C1=C(C(=CC=C1)I)C)=O | 5 |
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.C([O-])([O-])=O.[Cs+].[Cs+].Br[C:54]1[CH:55]=[CH:56][C:57]2[N:79]([CH:80]=1)[C:60]1[N:61]([C:70]3[CH:75]=[CH:74][C:73]([N+:76]([O-:78])=[O:77])=[CH:72][CH:71]=3)[C:62](=[O:69])[C:63]3[C:68]([C:59]=1[N:58]=2)=[CH:67][CH:66]=[CH:65][CH:64]=3.[N:81]1([CH2:86][CH2:87][NH2:88])[CH2:85][CH2:84][CH2:83][CH2:82]1>O1CCOCC1>[N+:76]([C:73]1[CH:72]=[CH:71][C:70]([N:61]2[C:60]3[N:79]4[CH:80]=[C:54]([NH:88][CH2:87][CH2:86][N:81]5[CH2:85][CH2:84][CH2:83][CH2:82]5)[CH:55]=[CH:56][C:57]4=[N:58][C:59]=3[C:68]3[C:63](=[CH:64][CH:65]=[CH:66][CH:67]=3)[C:62]2=[O:69])=[CH:75][CH:74]=1)([O-:78])=[O:77] | 1 |
Br[C:2]1[CH:3]=[C:4]2[C:13](=[CH:14][C:15]=1[C:16]([F:19])([F:18])[F:17])[O:12][CH2:11][C:10]1[N:5]2[CH:6]([CH3:29])[C:7](=[O:28])[N:8]([CH2:20][O:21][CH2:22][CH2:23][Si:24]([CH3:27])([CH3:26])[CH3:25])[N:9]=1.C[C:31]1([NH2:42])[CH2:34][N:33]([C:35]([O:37][C:38]([CH3:41])([CH3:40])[CH3:39])=[O:36])[CH2:32]1.C([O-])([O-])=O.[Cs+].[Cs+].C1C=CC(P(C2C(C3C(P(C4C=CC=CC=4)C4C=CC=CC=4)=CC=C4C=3C=CC=C4)=C3C(C=CC=C3)=CC=2)C2C=CC=CC=2)=CC=1>C1(C)C=CC=CC=1.C(O[Pd]OC(=O)C)(=O)C>[C:38]([O:37][C:35]([N:33]1[CH2:34][CH:31]([NH:42][C:2]2[CH:3]=[C:4]3[C:13](=[CH:14][C:15]=2[C:16]([F:19])([F:18])[F:17])[O:12][CH2:11][C:10]2[N:5]3[CH:6]([CH3:29])[C:7](=[O:28])[N:8]([CH2:20][O:21][CH2:22][CH2:23][Si:24]([CH3:27])([CH3:26])[CH3:25])[N:9]=2)[CH2:32]1)=[O:36])([CH3:41])([CH3:39])[CH3:40] | 1 |
[CH:1]([C:3]1[C:11]2[C:6](=[CH:7][CH:8]=[C:9]([CH:12]3[C:17]([C:18]#[N:19])=[C:16]([CH3:20])[NH:15][C:14]([CH3:21])=[C:13]3[C:22]#[N:23])[CH:10]=2)[NH:5][N:4]=1)=[O:2].[BH4-].[Na+]>CO.[Cl-].[Na+].O>[OH:2][CH2:1][C:3]1[C:11]2[C:6](=[CH:7][CH:8]=[C:9]([CH:12]3[C:13]([C:22]#[N:23])=[C:14]([CH3:21])[NH:15][C:16]([CH3:20])=[C:17]3[C:18]#[N:19])[CH:10]=2)[NH:5][N:4]=1 | 1 |
C(C)(C)(C)OC(=O)N1CCC(CC1)C1=C2C(=NC(=C1)C(=O)OC)N(N=C2C2CCC2)C2=CC=C(C=C2)F>C(C)OCC.CO[H].O1CCOCC1.Cl>C1(CCC1)C1=NN(C2=NC(=CC(=C21)C2CCNCC2)C(=O)OC)C2=CC=C(C=C2)F | 3 |
ClC=1SC2=C(N1)C=CC=C2>>ClC=1SC2=C(N1)C=CC(=C2)[N+](=O)[O-].ClC=1SC2=C(N1)C=CC=C2[N+](=O)[O-].ClC=1SC2=C(N1)C(=CC=C2)[N+](=O)[O-] | 5 |
ClC1=C(C(=O)N(C)CC(OC)OC)C=CC(=N1)Cl>>ClC1=C(C(=O)N(CC=O)C)C=CC(=N1)Cl | 5 |
ClC1=CC=C(C(=O)C2=C(C=CC(=C2)C(F)(F)F)C=2C(=CC(N(C2)C)=O)C=CC(=O)O)C=C1>CCO[H].C(=O)[O-].[NH4+]>ClC1=CC=C(C=C1)C1=NC(C=2C(C3=C1C=C(C=C3)C(F)(F)F)=CN(C(C2)=O)C)CC(=O)O | 3 |
C(C1=CC=CC=C1)OCC1CCN(CC1)C=1C=C2C=CN(C(C2=CC1)=O)C(C(=O)O)CCC(=O)O>CN1C(CCC1)=O.NC(=O)N>C(C1=CC=CC=C1)OCC1CCN(CC1)C=1C=C2C=CN(C(C2=CC1)=O)C1C(NC(CC1)=O)=O | 3 |
[Cl:1][CH2:2][CH2:3][O:4][C:5]1[CH:14]=[CH:13][C:8]([C:9]([O:11][CH3:12])=[O:10])=[CH:7][C:6]=1[O:15][CH3:16].[N:17]([O-:19])=[O:18].[Na+].C(O)(=O)C.[N+]([O-])(O)=O>O>[Cl:1][CH2:2][CH2:3][O:4][C:5]1[C:6]([O:15][CH3:16])=[CH:7][C:8]([C:9]([O:11][CH3:12])=[O:10])=[C:13]([N+:17]([O-:19])=[O:18])[CH:14]=1 | 1 |
[NH:1]1[CH2:8][CH2:7][CH2:6][C@H:2]1[C:3](O)=[O:4].C[N:10]1[CH2:15][CH2:14][O:13]CC1.[CH2:16]([O:18]C(Cl)=O)[CH3:17].Cl.[NH2:23][C@H:24]([C:35]([NH:37][C@H:38]([C:43]([NH2:45])=[O:44])[CH2:39][CH2:40][S:41][CH3:42])=[O:36])[CH2:25][C:26]1[C:34]2[C:29](=[CH:30][CH:31]=[CH:32][CH:33]=2)[NH:28][CH:27]=1.[O:46]1C[CH2:49][CH2:48][CH2:47]1>CN(C)C=O>[NH:10]1[C:47](=[O:46])[CH2:48][CH2:49][C@H:17]1[C:16]([N:1]1[CH2:8][CH2:7][CH2:6][C@H:2]1[C:3]([NH:23][C@H:24]([C:35]([NH:37][C@H:38]([C:43]([NH2:45])=[O:44])[CH2:39][CH2:40][S:41][CH3:42])=[O:36])[CH2:25][C:26]1[C:34]2[C:29](=[CH:30][CH:31]=[CH:32][CH:33]=2)[NH:28][CH:27]=1)=[O:4])=[O:18].[CH:14]([O:13][CH:7]([CH3:6])[CH3:8])([CH3:15])[CH3:16] | 1 |
[OH:1][CH2:2][C:3]1[NH:4][C:5]([CH3:31])=[C:6]([C:23]([O:25][CH2:26][CH2:27][O:28][CH2:29][CH3:30])=[O:24])[CH:7]([C:14]2[CH:19]=[CH:18][CH:17]=[C:16]([N+:20]([O-:22])=[O:21])[CH:15]=2)[C:8]=1[C:9]([O:11][CH2:12][CH3:13])=[O:10].ClS([N:36]=[C:37]=[O:38])(=O)=O.O.C(OC(C)C)(C)C.CCCCCC>C1C=CC=CC=1>[NH2:36][C:37]([O:1][CH2:2][C:3]1[NH:4][C:5]([CH3:31])=[C:6]([C:23]([O:25][CH2:26][CH2:27][O:28][CH2:29][CH3:30])=[O:24])[CH:7]([C:14]2[CH:19]=[CH:18][CH:17]=[C:16]([N+:20]([O-:22])=[O:21])[CH:15]=2)[C:8]=1[C:9]([O:11][CH2:12][CH3:13])=[O:10])=[O:38] | 1 |
CO[C:3](=[O:15])[C:4]([CH3:14])([CH3:13])[CH2:5][O:6][CH:7]1[CH2:12][CH2:11][CH2:10][CH2:9][O:8]1.[C:16](#[N:18])[CH3:17].[H-].[Na+].Cl>C1(C)C=CC=CC=1>[CH3:14][C:4]([CH3:13])([CH2:5][O:6][CH:7]1[CH2:12][CH2:11][CH2:10][CH2:9][O:8]1)[C:3](=[O:15])[CH2:17][C:16]#[N:18] | 1 |
C(C)N1N=CC(=C1C=1C(=C(C(=O)OC)C=CC1)C)C>O.CO[H]>C(C)N1N=CC(=C1C=1C(=C(C(=O)O)C=CC1)C)C | 3 |
C(C)(C)(C)C1=CC=C(C=C1)B(O)O.C(C1=CC=CC=C1)OC1=CC=C(C=C1)C1=CC(=CC=C1)CN1C(=C(C2=CC=CC=C12)Br)C(=O)OCC>>C(C1=CC=CC=C1)OC1=CC=C(C=C1)C1=CC(=CC=C1)CN1C(=C(C2=CC=CC=C12)C1=CC=C(C=C1)C(C)(C)C)C(=O)OCC | 5 |
Br[C:2]1[CH:7]=[CH:6][C:5]([Br:8])=[CH:4][N:3]=1.[H-].[Na+].[OH:11][C:12]1[CH:17]=[CH:16][O:15][CH2:14][CH:13]=1>CN(C)C=O.[Cl-].[Na+].O>[Br:8][C:5]1[CH:6]=[CH:7][C:2]([O:11][CH:12]2[CH2:17][CH2:16][O:15][CH2:14][CH2:13]2)=[N:3][CH:4]=1 | 1 |
[F:1][C:2]1[CH:3]=[C:4]([CH:6]=[CH:7][C:8]=1[F:9])[NH2:5].C(=O)(O)[O-].[Na+].[I:15]I.S([O-])([O-])(=O)=S.[Na+].[Na+]>O>[F:9][C:8]1[C:2]([F:1])=[CH:3][C:4]([NH2:5])=[C:6]([I:15])[CH:7]=1 | 2 |
CN1CCN(CC1)C1=CC=CC=2NC(=NC21)C2=NN(C1=CC=C(C=C21)C=2C=C(C=NC2)NC(CC2=CC=CC=C2)=O)COCC[Si](C)(C)C>ClCCl.C(=O)(C(F)(F)F)O>CN1CCN(CC1)C1=CC=CC=2NC(=NC21)C2=NNC1=CC=C(C=C21)C=2C=C(C=NC2)NC(CC2=CC=CC=C2)=O | 3 |
C(C=C)(=O)Cl.NC1=C2C(=NC=N1)N(N=C2C2=CC=C(C(=O)NC1=NC=CC(=C1)C)C=C2)[C@H]2CNCC2>C1CCCO1.C(C)(C)N(C(C)C)CC>C(C=C)(=O)N1C[C@@H](CC1)N1N=C(C=2C1=NC=NC2N)C2=CC=C(C(=O)NC1=NC=CC(=C1)C)C=C2 | 3 |
[CH:1]([O:4][C:5](=[O:22])[N:6]([CH2:8][CH2:9][CH2:10][NH:11][C:12]1[CH:13]=[CH:14][C:15]2[N:16]([C:18](Br)=[CH:19][N:20]=2)[N:17]=1)[CH3:7])([CH3:3])[CH3:2].Cl.[NH2:24][CH2:25][C:26]1[CH:31]=[CH:30][C:29](B(O)O)=[CH:28][CH:27]=1.O.[O-]P([O-])([O-])=O.[K+].[K+].[K+].ClCCl.N#N>COCCOC.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.Cl[Pd]Cl.[Fe+2].O>[CH:1]([O:4][C:5](=[O:22])[N:6]([CH2:8][CH2:9][CH2:10][NH:11][C:12]1[CH:13]=[CH:14][C:15]2[N:16]([C:18]([C:29]3[CH:30]=[CH:31][C:26]([CH2:25][NH2:24])=[CH:27][CH:28]=3)=[CH:19][N:20]=2)[N:17]=1)[CH3:7])([CH3:3])[CH3:2] | 1 |
CC1NCCNC1.FC1=CC(=C(C=C1)[N+](=O)[O-])OC>>COC=1C=C(C=CC1[N+](=O)[O-])N1CC(NCC1)C | 5 |
FC(COC1=C(C=C(C(=C1)C)[N+](=O)[O-])C)(CC(C)(C)C)F>>FC(COC1=C(C=C(C(=C1)C)N)C)(CCC)F | 5 |
[NH2:1][C@H:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[N:5]([C:12](=[O:14])[CH3:13])[C@@H:4]([CH3:15])[C@@H:3]1[CH3:16].Br[C:18]1[CH:19]=[C:20]([N:24]2[CH2:29][CH2:28][N:27]([C:30]([O:32][C:33]([CH3:36])([CH3:35])[CH3:34])=[O:31])[CH2:26][CH2:25]2)[CH:21]=[CH:22][CH:23]=1.CN(C1C(C2C(P(C3CCCCC3)C3CCCCC3)=CC=CC=2)=CC=CC=1)C.CC(C)([O-])C.[Na+]>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].O1CCOCC1>[C:12]([N:5]1[C:6]2[C:11](=[CH:10][CH:9]=[CH:8][CH:7]=2)[C@H:2]([NH:1][C:18]2[CH:19]=[C:20]([N:24]3[CH2:25][CH2:26][N:27]([C:30]([O:32][C:33]([CH3:36])([CH3:35])[CH3:34])=[O:31])[CH2:28][CH2:29]3)[CH:21]=[CH:22][CH:23]=2)[C@@H:3]([CH3:16])[C@@H:4]1[CH3:15])(=[O:14])[CH3:13] | 2 |
BrC=1C=C2CCC(C2=CC1)(O)C1SCCCS1>>BrC=1C=C2CCC(C2=CC1)=C1SCCCS1 | 5 |
OCC(CC1=NC=CC=C1)NC(OC(C)(C)C)=O>ClCCl.C(=O)(C(F)(F)F)O>NC(CO)CC1=NC=CC=C1 | 3 |
[C:1]1([C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)[CH:6]=[CH:5][C:4]([CH2:7][C@@H:8]([NH:15][C:16]([O:18][C:19]([CH3:22])([CH3:21])[CH3:20])=[O:17])[CH2:9][C:10](=[CH2:14])[C:11]([OH:13])=[O:12])=[CH:3][CH:2]=1.[C:29](=O)([O-])[O-].CI.C(OC(C)C)(=O)C>O.CN(C)C=O>[CH3:29][O:12][C:11](=[O:13])[C:10](=[CH2:14])[CH2:9][C@H:8]([NH:15][C:16]([O:18][C:19]([CH3:22])([CH3:21])[CH3:20])=[O:17])[CH2:7][C:4]1[CH:3]=[CH:2][C:1]([C:23]2[CH:24]=[CH:25][CH:26]=[CH:27][CH:28]=2)=[CH:6][CH:5]=1.[C:1]1([C:23]2[CH:24]=[CH:25][CH:26]=[CH:27][CH:28]=2)[CH:2]=[CH:3][C:4]([CH2:7][C@@H:8]([NH:15][C:16]([O:18][C:19]([CH3:22])([CH3:21])[CH3:20])=[O:17])[CH2:9][C:10](=[CH2:14])[C:11]([OH:13])=[O:12])=[CH:5][CH:6]=1 | 1 |
ClC1=NC=CC(=N1)Cl.C1(=CC=CC=C1)[C@H]1NC(OC1)=O>N(C)(C)C=O.[H-].[Na+]>ClC1=NC=CC(=N1)N1C(OC[C@H]1C1=CC=CC=C1)=O | 3 |
[CH3:1][O:2][CH2:3][CH2:4][O:5][C:6]1[CH:14]=[C:13]2[C:9]([C:10]([CH:15]([C:21]3[C:22]([CH3:38])=[C:23]([NH:27][C:28](=[O:37])[O:29][CH2:30][C:31]4[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=4)[CH:24]=[CH:25][CH:26]=3)[CH:16]([N+:18]([O-])=O)[CH3:17])=[CH:11][NH:12]2)=[CH:8][CH:7]=1.C([O-])(=O)C.[NH4+]>CO.O1CCCC1.CCOC(C)=O.[Zn]>[NH2:18][CH:16]([CH3:17])[CH:15]([C:21]1[C:22]([CH3:38])=[C:23]([NH:27][C:28](=[O:37])[O:29][CH2:30][C:31]2[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=2)[CH:24]=[CH:25][CH:26]=1)[C:10]1[C:9]2[C:13](=[CH:14][C:6]([O:5][CH2:4][CH2:3][O:2][CH3:1])=[CH:7][CH:8]=2)[NH:12][CH:11]=1 | 1 |
BrCCNC(OC(C)(C)C)=O.C(C)OC=1C=C(C=CC1OCC)C(CCC(=O)NC1=NC2=CC=CC=C2C(=C1)C1=CC=C(C=C1)O)=O>>C(C)OC=1C=C(C=CC1OCC)C(CCC(=O)NC1=NC2=CC=CC=C2C(=C1)C1=CC=C(OCCNC(OC(C)(C)C)=O)C=C1)=O | 5 |
[CH3:1][C:2]1[N:3]=[CH:4][C:5]([C:8]([OH:10])=O)=[N:6][CH:7]=1.[CH3:11][N:12]([CH3:15])C=O.[C:16](Cl)(=[O:20])C(Cl)=O.Cl[CH2:23]Cl>>[CH3:1][C:2]1[N:3]=[CH:4][C:5]([C:8]([N:12]2[CH2:11][CH2:16][O:20][CH2:23][CH2:15]2)=[O:10])=[N:6][CH:7]=1 | 2 |
BrC1=C2C(CN(C2=CC(=C1)C(=O)OC)C(C)C)C>O1CCOCC1.[OH-].[Li+]>BrC=1C=C(C=C2CCN(C12)C(C)C)C(=O)O | 3 |
[CH2:1]([Li])[CH2:2][CH2:3][CH3:4].[CH3:6][CH2:7][CH2:8][CH2:9][CH2:10][CH3:11]>>[CH2:1]=[CH:2][C:3](=[CH2:4])[CH3:6].[CH2:6]=[CH:7][C:8]1[CH:2]=[CH:1][CH:11]=[CH:10][CH:9]=1 | 1 |
FC1=C(C=CC=C1F)C1N(C(C2=NC=CC(=C21)NC(=O)C=2C1=C(SC2)C=CC=C1)=O)CC1=C(C=C(C=C1)OC)OC>CC#N.ClCCl.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-]>FC1=C(C=CC=C1F)C1NC(C2=NC=CC(=C21)NC(=O)C=2C1=C(SC2)C=CC=C1)=O | 3 |
[I-].C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.BrC1=CC=C2CC(C(C2=C1)=O)(C)CCOC>C1CCCO1.C(CCC)[Li].[Cl-].[NH4+]>BrC1=CC=C2CC(C(C2=C1)=C)(C)CCOC | 3 |
[N:1]1[CH:6]=[CH:5][C:4]([C:7]2[CH:12]=[CH:11][N:10]=[CH:9][CH:8]=2)=[CH:3][CH:2]=1.[Cl:13][C:14]1[CH:19]=[CH:18][C:17]([N+:20]([O-:22])=[O:21])=[CH:16][C:15]=1[N+:23]([O-:25])=[O:24]>C(O)C>[Cl-:13].[N+:20]([C:17]1[CH:16]=[C:15]([N+:23]([O-:25])=[O:24])[CH:14]=[CH:19][C:18]=1[N+:1]1[CH:6]=[CH:5][C:4]([C:7]2[CH:12]=[CH:11][NH+:10]=[CH:9][CH:8]=2)=[CH:3][CH:2]=1)([O-:22])=[O:21].[Cl-:13] | 1 |
O[C@H]1[C@@H](O[C@@H]([C@H]1O)CO)C(=O)N>O1CCOCC1.COC=1C=CC(=CC1)P2(=S)SP(=S)(S2)C=3C=CC(=CC3)OC>C(C1=CC=CC=C1)(=O)O.C(C1=CC=CC=C1)(=O)O.C(C1=CC=CC=C1)(=O)O.O[C@H]1[C@@H](O[C@@H]([C@H]1O)CO)C(N)=S | 3 |
[F:1][C:2]1[CH:29]=[CH:28][C:5]([C:6]([CH:8]2[CH2:13][CH2:12][N:11]([CH2:14][CH2:15][C:16]3[C:21](=[O:22])[N:20]4[CH:23]=[CH:24][CH:25]=[CH:26][C:19]4=[N:18][C:17]=3[CH3:27])[CH2:10][CH2:9]2)=[O:7])=[CH:4][CH:3]=1.[C:30]([OH:37])(=[O:36])/[CH:31]=[CH:32]\[C:33]([OH:35])=[O:34]>CC(O)C>[C:30]([OH:37])(=[O:36])/[CH:31]=[CH:32]\[C:33]([OH:35])=[O:34].[F:1][C:2]1[CH:3]=[CH:4][C:5]([C:6]([CH:8]2[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][C:16]3[C:21](=[O:22])[N:20]4[CH:23]=[CH:24][CH:25]=[CH:26][C:19]4=[N:18][C:17]=3[CH3:27])[CH2:12][CH2:13]2)=[O:7])=[CH:28][CH:29]=1 | 1 |
OC1CCCCC(NC2=C1C=CC=C2)=O>C(C)(=O)OC(C)=O>C(C)(=O)OC1CCCCC(NC2=C1C=CC=C2)=O | 3 |
CC1=CC=C(CBr)C=C1.ClC1=C(C#N)C=CC(=C1)Cl>>ClC1=C(C=CC(=C1)Cl)C(CC1=CC=C(C=C1)C)=O | 5 |
C1(=CC=CC=C1)C1CCCNC2=C1SC=C2>C1CCCO1.CO[H].ClCCl.C(=O)(C=1NC=CN1)C=1NC=CN1.[H-].[Na+]>N1(C=NC=C1)C(=O)C1CNC2=C(C(C1)C1=CC=CC=C1)SC=C2 | 3 |
C(C)(=O)OCC(=O)Cl.Cl.NC=1C=NC2=CC(=CC=C2C1O)Br>>C(C)(=O)OCC(NC=1C=NC2=CC(=CC=C2C1O)Br)=O | 5 |
[N+](=O)([O-])C=1C=C(C=CC1N)C1=CC(=C(C=C1)N)[N+](=O)[O-]>>NC=1C=C(C=CC1N)C1=CC(=C(N)C=C1)N | 5 |
C(CCCC)N.FC1=C(OC=2C=CC(=NC2)C(=O)N)C=CC(=C1)C=O>CO[H].[Na+].[BH4-]>FC1=C(OC=2C=CC(=NC2)C(=O)N)C=CC(=C1)CNCCCCC | 3 |
[F:1][C:2]1[CH:7]=[C:6](I)[CH:5]=[CH:4][C:3]=1[N:9]1[CH:14]=[C:13]([O:15][CH3:16])[C:12](=[O:17])[C:11]([C:18]2[N:22]([C:23]3[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=3)[N:21]=[CH:20][CH:19]=2)=[N:10]1.Cl.[F:30][C:31]1([F:38])[C:35]([F:37])([F:36])[CH2:34][NH:33][CH2:32]1.CC1(C)C2C(=C(P(C3C=CC=CC=3)C3C=CC=CC=3)C=CC=2)OC2C(P(C3C=CC=CC=3)C3C=CC=CC=3)=CC=CC1=2.O(C(C)(C)C)[Na]>O1CCOCC1.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].O>[F:1][C:2]1[CH:7]=[C:6]([N:33]2[CH2:34][C:35]([F:37])([F:36])[C:31]([F:38])([F:30])[CH2:32]2)[CH:5]=[CH:4][C:3]=1[N:9]1[CH:14]=[C:13]([O:15][CH3:16])[C:12](=[O:17])[C:11]([C:18]2[N:22]([C:23]3[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=3)[N:21]=[CH:20][CH:19]=2)=[N:10]1 | 2 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][C:12]=1[O:13][CH3:14])[N:9]=[CH:8][N:7]=[C:6]2[O:15][C:16]1[CH:22]=[CH:21][C:19]([NH2:20])=[CH:18][CH:17]=1.C(N(CC)CC)C.[C:30](Cl)(Cl)=[S:31].[N:34]1([C:39]([CH2:41][CH2:42][CH2:43][NH2:44])=[O:40])[CH:38]=[CH:37][N:36]=[CH:35]1>CN(C)C=O.C(OCC)(=O)C>[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][C:12]=1[O:13][CH3:14])[N:9]=[CH:8][N:7]=[C:6]2[O:15][C:16]1[CH:22]=[CH:21][C:19]([NH:20][C:30]([NH:44][CH2:43][CH2:42][CH2:41][C:39]([N:34]2[CH:38]=[CH:37][N:36]=[CH:35]2)=[O:40])=[S:31])=[CH:18][CH:17]=1 | 1 |
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([CH3:14])[C:9]([O:11][CH2:12][CH3:13])=[O:10])=[CH:4][C:3]=1[OH:15].[Cl:16][CH2:17][C:18](Cl)=[O:19]>CC(C)CC(=O)C.O>[Cl:16][CH2:17][C:18]([NH:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([CH3:14])[C:9]([O:11][CH2:12][CH3:13])=[O:10])=[CH:4][C:3]=1[OH:15])=[O:19] | 1 |
COC1=CC=C(CN)C=C1.ClC1=NC(=CC=C1)OC1CCCCC1>>C1(CCCCC1)OC1=CC=CC(=N1)NCC1=CC=C(C=C1)OC | 3 |
OCC#CC1=CC=CC=2N(C(N(C21)C)=O)C2C(NC(CC2)=O)=O>C1CCCO1.[HH].[Pd].[OH-].[Pd+2].[OH-]>OCCCC1=CC=CC=2N(C(N(C21)C)=O)C2C(NC(CC2)=O)=O | 3 |
[Si](Cl)(Cl)(Cl)Cl.C(C)OC(=O)C=1C=C2C(CC(NC2=CC1)C1=CC(=CC=C1)C(NC)=O)(C)C>CC#N.[N-]=[N+]=[N-].[Na+]>C(C)OC(=O)C=1C=C2C(CC(NC2=CC1)C1=CC(=CC=C1)C1=NN=NN1C)(C)C | 3 |
[CH:1]([Mg]Cl)([CH2:3][CH3:4])[CH3:2].[CH3:7][C:8]1[N:9]=[C:10]([C:28]#N)[C:11]2[C:16]([CH3:17])=[C:15]([CH3:18])[N:14]([C:19]3[C:24]([CH3:25])=[CH:23][C:22]([CH3:26])=[CH:21][C:20]=3[CH3:27])[C:12]=2[N:13]=1.[O:30]1CCCC1>>[CH3:2][CH:1]([CH2:3][CH3:4])[C:28]([C:10]1[C:11]2[C:16]([CH3:17])=[C:15]([CH3:18])[N:14]([C:19]3[C:24]([CH3:25])=[CH:23][C:22]([CH3:26])=[CH:21][C:20]=3[CH3:27])[C:12]=2[N:13]=[C:8]([CH3:7])[N:9]=1)=[O:30] | 1 |
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