smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[O:1]=[C:2]([OH:11])[CH2:3][N:4]([CH2:8][CH2:9][OH:10])[CH2:5][CH2:6][OH:7].[C:12]([OH:35])(=O)[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH3:33].[C:36](Cl)(=[O:40])[C:37](Cl)=O.Cl.[Cl-].[Na+]>C(Cl)(Cl)Cl.N1C=CC=CC=1>[C:36]([O:10][CH2:9][CH2:8][N:4]([CH2:3][C:2]([OH:11])=[O:1])[CH2:5][CH2:6][O:7][C:12](=[O:35])[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH3:33])(=[O:40])[CH2:37][CH2:31][CH2:30][CH2:29][CH2:28][CH2:27][CH2:26][CH2:25][CH2:24][CH2:23][CH2:22][CH2:21][CH2:20][CH2:19][CH2:18][CH2:17][CH2:16][CH2:15][CH2:14][CH2:13][CH3:12] | 1 |
BrC=1C=CC(=NC1)F.C1(CC1)C(C(F)(F)F)O>O.C1CCCO1.[H-].[Na+]>BrC=1C=CC(=NC1)OC(C(F)(F)F)C1CC1 | 3 |
[OH-].[Na+].O.NN.[Br:6][C:7]1[CH:8]=[C:9]([Cl:17])[C:10]([OH:16])=[C:11]([C:13](=O)[CH3:14])[CH:12]=1>C(O)COCCOCCO>[Br:6][C:7]1[CH:12]=[C:11]([CH2:13][CH3:14])[C:10]([OH:16])=[C:9]([Cl:17])[CH:8]=1 | 1 |
C(#N)CC(=O)N.CC(C#CC)=O>CC(C)(C)[O-].[K+].CS(=O)C>C(C)C1=C(C(NC(=C1)C)=O)C#N | 3 |
[Li].[F:2][CH:3]([F:22])[O:4][C:5]1[CH:6]=[C:7]([C:12]([O-])=[CH:13][C:14](=O)[C:15]([O:17]CC)=[O:16])[CH:8]=[C:9]([F:11])[CH:10]=1.ClC1C=C(C2N(C3C=CC=CN=3)N=C(C(O)=O)C=2)C=C(F)C=1.Cl.[N:46]1[CH:51]=[CH:50][CH:49]=[C:48]([NH:52][NH2:53])[CH:47]=1>>[F:11][C:9]1[CH:8]=[C:7]([C:12]2[N:52]([C:48]3[CH:47]=[N:46][CH:51]=[CH:50][CH:49]=3)[N:53]=[C:14]([C:15]([OH:17])=[O:16])[CH:13]=2)[CH:6]=[C:5]([O:4][CH:3]([F:2])[F:22])[CH:10]=1 | 1 |
[CH3:1][O:2][N:3]([CH3:26])[C:4]([C:6]1[CH:11]=[CH:10][CH:9]=[C:8]([F:12])[C:7]=1[C:13]1[CH2:18][CH2:17][N:16]([C:19]([O:21][C:22]([CH3:25])([CH3:24])[CH3:23])=[O:20])[CH2:15][CH:14]=1)=[O:5]>CCO.O=[Pt]=O>[CH3:1][O:2][N:3]([CH3:26])[C:4]([C:6]1[CH:11]=[CH:10][CH:9]=[C:8]([F:12])[C:7]=1[CH:13]1[CH2:14][CH2:15][N:16]([C:19]([O:21][C:22]([CH3:24])([CH3:23])[CH3:25])=[O:20])[CH2:17][CH2:18]1)=[O:5] | 1 |
CC1(CC(C2=CC=CC=C12)=O)C>>BrC1=CC=C2C(CC(C2=C1)=O)(C)C | 5 |
FC(F)(F)C(O)=O.[CH2:8]([NH:12][C:13]1[N:21]=[C:20]2[C:16]([N:17]=[C:18]([O:22][CH3:23])[NH:19]2)=[C:15]([NH2:24])[N:14]=1)[CH2:9][CH2:10][CH3:11].C(=O)([O-])[O-].[K+].[K+].CS(O[CH2:36][CH:37]1[CH2:41][CH2:40][O:39][CH2:38]1)(=O)=O>CN(C)C=O.C(OCC)(=O)C>[CH2:8]([NH:12][C:13]1[N:21]=[C:20]2[C:16]([N:17]=[C:18]([O:22][CH3:23])[N:19]2[CH2:36][CH:37]2[CH2:41][CH2:40][O:39][CH2:38]2)=[C:15]([NH2:24])[N:14]=1)[CH2:9][CH2:10][CH3:11] | 1 |
[NH2:1][C@H:2]1[C@H:6]([CH3:7])[CH2:5][N:4]([CH2:8][C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)[CH2:3]1.C(N(CC)CC)C.[C:22]([O:26][C:27](ON=C(C1C=CC=CC=1)C#N)=[O:28])([CH3:25])([CH3:24])[CH3:23]>O1CCOCC1>[NH3:1].[CH2:8]([N:4]1[CH2:5][C@@H:6]([CH3:7])[C@H:2]([NH:1][C:27]([O:26][C:22]([CH3:25])([CH3:24])[CH3:23])=[O:28])[CH2:3]1)[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1 | 1 |
C(C)(C)OC=1N=CC(=NC1)C#N>CO[H].Cl.[Na].[Cl-].[NH4+]>C(C)(C)OC=1N=CC(=NC1)C(=N)N | 3 |
CC=1NC2=CC=C(C=C2C(C1C#N)=O)[N+](=O)[O-]>>ClC1=C(C(=NC2=CC=C(C=C12)[N+](=O)[O-])C)C#N | 5 |
C(C(C)(C)C)(=O)OCI.FC=1C=C(C=CC1OC)C1=C(N2C([C@@H]([C@H]2C1)[C@@H](C)O)=O)C(=O)[O-].[Na+]>>FC=1C=C(C=CC1OC)C1=C(N2C([C@@H]([C@H]2C1)[C@@H](C)O)=O)C(=O)OCOC(C(C)(C)C)=O | 5 |
[CH3:1][NH:2][S:3]([C:6]1[CH:11]=[CH:10][C:9]([C:12]2[C:20]3[C:19]4[CH2:21][NH:22][CH2:23][CH2:24][C:18]=4[NH:17][C:16]=3[N:15]=[CH:14][CH:13]=2)=[CH:8][CH:7]=1)(=[O:5])=[O:4].[C:25](OC(=O)C)(=[O:27])[CH3:26].CCN(C(C)C)C(C)C>O1CCOCC1.CCOC(C)=O.O>[C:25]([N:22]1[CH2:23][CH2:24][C:18]2[NH:17][C:16]3[N:15]=[CH:14][CH:13]=[C:12]([C:9]4[CH:8]=[CH:7][C:6]([S:3]([NH:2][CH3:1])(=[O:5])=[O:4])=[CH:11][CH:10]=4)[C:20]=3[C:19]=2[CH2:21]1)(=[O:27])[CH3:26] | 1 |
ClC=1C=C(C(=NC1C#N)N1CCN(CC1)C(=O)OC(C)(C)C)C(=O)OC>O.CO[H].[HH]>NCC1=C(C=C(C(=N1)N1CCN(CC1)C(=O)OC(C)(C)C)C(=O)OC)Cl | 3 |
Cl.CN.BrC1=CC(=C(C(=O)O)C=C1)F>ClCCl.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1C=CC=C2)O[P+](N(C)C)(N(C)C)N(C)C>BrC1=CC(=C(CNC)C=C1)F | 3 |
[H-].[Na+].[CH3:3][O:4][C:5](=[O:17])[CH:6]([C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)[CH2:7][CH2:8][S:9][CH3:10].[N:18]12[CH2:25]C[CH:21]([CH2:22][CH2:23]1)[C@@H:20](O)[CH2:19]2>C1(C)C=CC=CC=1>[CH3:10][S:9][CH2:8][CH2:7][CH:6]([C:11]1[CH:12]=[CH:13][CH:14]=[CH:15][CH:16]=1)[C:5]([O:4][C@@H:3]1[CH:21]2[CH2:22][CH2:23][N:18]([CH2:19][CH2:20]2)[CH2:25]1)=[O:17] | 1 |
C1(=CC=CC=C1)N1C(CC2=CC=CC=C12)=O>>ClC=1N(C2=CC=CC=C2C1C=O)C1=CC=CC=C1 | 5 |
[CH3:1][O:2][C:3](=[O:19])[CH:4]([NH:8][C:9](=[O:18])[C:10]1[C:15]([Cl:16])=[CH:14][CH:13]=[CH:12][C:11]=1[Cl:17])[CH2:5][CH:6]=[CH2:7].I[C:21]1[CH:26]=[CH:25][C:24]([N:27]([CH3:38])[C:28]2[N:33]=[C:32]([O:34][CH3:35])[CH:31]=[C:30]([O:36][CH3:37])[N:29]=2)=[CH:23][CH:22]=1>>[CH3:1][O:2][C:3](=[O:19])[CH:4]([NH:8][C:9](=[O:18])[C:10]1[C:11]([Cl:17])=[CH:12][CH:13]=[CH:14][C:15]=1[Cl:16])[CH2:5]/[CH:6]=[CH:7]/[C:21]1[CH:22]=[CH:23][C:24]([N:27]([C:28]2[N:33]=[C:32]([O:34][CH3:35])[CH:31]=[C:30]([O:36][CH3:37])[N:29]=2)[CH3:38])=[CH:25][CH:26]=1 | 1 |
ClC1=CC(=C(C=C1)C1CC2CCC(C1)N2C(=O)OCC)C(CC)O>>C(C)(=O)NC(CC)C1=C(C=CC(=C1)Cl)C1CC2CCC(C1)N2C(=O)OCC | 5 |
Cl[C:2]([O:4][C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1)=[O:3].[CH2:11]([O:18][C:19]([C:21]1([C:24](=[O:41])[NH:25][C:26]2[CH:31]=[CH:30][C:29]([O:32][C:33]3[CH:38]=[CH:37][N:36]=[C:35]([NH2:39])[CH:34]=3)=[CH:28][C:27]=2[F:40])[CH2:23][CH2:22]1)=[O:20])[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1.ClC(OC1C=CC=CC=1)=O.C(#N)C.C(OC(C1(C(=O)NC2C=CC(OC3C=CN=C(N)C=3)=CC=2F)CC1)=O)C1C=CC=CC=1.O1CCCC1>C(#N)C.O1CCCC1.O.O1CCCC1.N1C=CC=CC=1.N1C=CC=CC=1>[CH2:11]([O:18][C:19]([C:21]1([C:24](=[O:41])[NH:25][C:26]2[CH:31]=[CH:30][C:29]([O:32][C:33]3[CH:38]=[CH:37][N:36]=[C:35]([NH:39][C:2]([O:4][C:5]4[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=4)=[O:3])[CH:34]=3)=[CH:28][C:27]=2[F:40])[CH2:22][CH2:23]1)=[O:20])[C:12]1[CH:13]=[CH:14][CH:15]=[CH:16][CH:17]=1 | 1 |
N1C=C(C2=CC=CC=C12)CC(=NO)C1=CC=CC=C1>>N1C=C(C2=CC=CC=C12)CC(C1=CC=CC=C1)N | 5 |
NCCC1=CNC2=CC=CC=C12.C(#CC(=O)OCC)C(=O)OCC.C(C1=CC=CC=C1)OC1=CC=C2C(C(=COC2=C1C)C=O)=O>C1(=CC=CC=C1)C.c3c(P(c1ccccc1)c2ccccc2)cccc3.[C@@]12(C(=O)CC(CC1)C2(C)C)CS(=O)(=O)O>C(C1=CC=CC=C1)OC1=C(C(=C(C(=O)C2=CN3CCC4=C(C3(C(=C2)C(=O)OC)C(=O)OC)NC2=CC=CC=C24)C=C1)O)C | 3 |
ClC1=C(C(=O)O)C=C(C=N1)F>N(C)(C)C=O.ClCCl.C(C(=O)Cl)(=O)Cl.N>ClC1=C(C(=O)N)C=C(C=N1)F | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:13]=[CH:14][CH:15]=1)[O:5][C:6]1[CH:12]=[CH:11][C:9]([NH2:10])=[CH:8][CH:7]=1.[CH2:16]([O:23][CH2:24][C@H:25]([NH:29]C(OC(C)(C)C)=O)[C:26](O)=[O:27])[C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1>>[NH2:29][C@@H:25]([CH2:24][O:23][CH2:16][C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1)[C:26]([NH:10][C:9]1[CH:11]=[CH:12][C:6]([O:5][C:4]2[CH:13]=[CH:14][CH:15]=[C:2]([Cl:1])[CH:3]=2)=[CH:7][CH:8]=1)=[O:27] | 1 |
C([O:3][C:4]([C:6]1[N:7]([CH3:21])[N:8]=[C:9]([C:11]2[CH:16]=[CH:15][C:14]([C:17]([F:20])([F:19])[F:18])=[CH:13][CH:12]=2)[CH:10]=1)=O)C.[H-].[Al+3].[Li+].[H-].[H-].[H-]>>[CH3:21][N:7]1[C:6]([CH2:4][OH:3])=[CH:10][C:9]([C:11]2[CH:12]=[CH:13][C:14]([C:17]([F:18])([F:19])[F:20])=[CH:15][CH:16]=2)=[N:8]1 | 1 |
C(CCC)C1(CS(C2=C(N(C1)C1=CC=CC=C1)C=C(C(=C2)OCC(C(=O)OC)(C)F)SC)(=O)=O)CC>O.O1CCOCC1.[OH-].[Li+]>C(CCC)C1(CS(C2=C(N(C1)C1=CC=CC=C1)C=C(C(=C2)OCC(C(=O)O)(C)F)SC)(=O)=O)CC | 3 |
[CH3:1][CH:2]([CH2:4][CH2:5][CH2:6][C@H:7]([C@@H:9]1[C@:26]2([CH3:27])[C@H:12]([C@H:13]3[C@H:23]([CH2:24][CH2:25]2)[C@:21]2([CH3:22])[C@H:16]([CH2:17][CH2:18][CH2:19][CH2:20]2)[CH2:15][CH2:14]3)[CH2:11][CH2:10]1)[CH3:8])[CH3:3].[OH-:28].[Na+]>C1COCC1.CO>[CH3:3][CH:2]([CH2:4][CH2:5][CH2:6][C@H:7]([C@@H:9]1[C@:26]2([CH3:27])[C@H:12]([C@H:13]3[C@H:23]([CH2:24][CH2:25]2)[C@:21]2([CH3:22])[C@H:16]([CH2:17][C@@H:18]([OH:28])[CH2:19][CH2:20]2)[CH2:15][CH2:14]3)[CH2:11][CH2:10]1)[CH3:8])[CH3:1] | 1 |
C(C)(C)(C)OC(N[C@@H]1[C@H](CC=2N(C1)C1=C(N2)C(=CC(=N1)C)Cl)C1=C(C=C(C(=C1)F)F)F)=O>CO[H].O.O.[Pd].[HH]>C(C)(C)(C)OC(N[C@@H]1[C@H](CC=2N(C1)C1=C(N2)C=CC(=N1)C)C1=C(C=C(C(=C1)F)F)F)=O | 3 |
COC1=C(C=CC=C1)NC(CC(C)=O)=O>S(O)(O)(=O)=O.N>COC=1C=CC=C2C(=CC(NC12)=O)C | 3 |
CC1=NC=C(C=C1C1COCC1)C1=NN=C(N1COCC[Si](C)(C)C)C(F)(F)F>O1CCOCC1.[Se](=O)=O>O1CC(CC1)C=1C(=NC=C(C1)C1=NN=C(N1COCC[Si](C)(C)C)C(F)(F)F)C=O | 3 |
ClC[C@@H]1CNC=2C=C(C3=C(C12)C(=CS3)C)O.N1C=CC2=CC=C(C=C12)C(=O)NC1=CNC2=CC(=CC=C12)C(=O)O>>ClC[C@@H]1CN(C2=CC(=C3C(=C12)C(=CS3)C)O)C(=O)C3=CC=C1C(=CNC1=C3)NC(=O)C3=CC=C1C=CNC1=C3 | 5 |
[CH:1]1([C:4]2[C:5]([NH:24][S:25]([CH3:28])(=[O:27])=[O:26])=[CH:6][C:7]3[O:11][C:10]([C:12]4[CH:17]=[CH:16][C:15]([F:18])=[CH:14][CH:13]=4)=[C:9]([C:19]([NH:21][CH3:22])=[O:20])[C:8]=3[CH:23]=2)[CH2:3][CH2:2]1.C[Si]([N-][Si](C)(C)C)(C)C.[Li+].[Br:39][C:40]1[CH:41]=[CH:42][C:43](F)=[N:44][CH:45]=1>CN(C)C=O.O>[Br:39][C:40]1[CH:41]=[CH:42][C:43]([N:24]([C:5]2[C:4]([CH:1]3[CH2:3][CH2:2]3)=[CH:23][C:8]3[C:9]([C:19]([NH:21][CH3:22])=[O:20])=[C:10]([C:12]4[CH:17]=[CH:16][C:15]([F:18])=[CH:14][CH:13]=4)[O:11][C:7]=3[CH:6]=2)[S:25]([CH3:28])(=[O:27])=[O:26])=[N:44][CH:45]=1 | 1 |
CI.C1COC2(CCC(CC2)=O)O1>>C1OC2(CC(C(CC2)=O)C)OC1 | 5 |
[NH2:1][C:2]1[C:19]([N+:20]([O-:22])=[O:21])=[CH:18][C:5]([C:6]([NH:8][C:9]2[CH:17]=[C:16]3[C:12]([CH:13]=[N:14][NH:15]3)=[CH:11][CH:10]=2)=[O:7])=[C:4](Cl)[CH:3]=1.C([O-])([O-])=O.[K+].[K+].[CH3:30][N:31](C=O)[CH3:32]>>[NH2:1][C:2]1[C:19]([N+:20]([O-:22])=[O:21])=[CH:18][C:5]([C:6]([NH:8][C:9]2[CH:17]=[C:16]3[C:12]([CH:13]=[N:14][NH:15]3)=[CH:11][CH:10]=2)=[O:7])=[C:4]([N:31]([CH3:32])[CH3:30])[CH:3]=1 | 1 |
[NH2:1][C:2]1[N:10]=[C:9]([CH2:11][O:12][CH3:13])[CH:8]=[CH:7][C:3]=1[C:4]([OH:6])=O.[Cl:14][C:15]1[CH:20]=[CH:19][C:18]([O:21][C:22]2[CH:23]=[C:24]([CH:27]=[CH:28][CH:29]=2)[CH2:25][NH2:26])=[CH:17][CH:16]=1.C(N(CC)CC)C.CN([P+](ON1N=NC2C=CC=CC1=2)(N(C)C)N(C)C)C.F[P-](F)(F)(F)(F)F>O.CN(C=O)C>[Cl:14][C:15]1[CH:20]=[CH:19][C:18]([O:21][C:22]2[CH:23]=[C:24]([CH2:25][NH:26][C:4](=[O:6])[C:3]3[CH:7]=[CH:8][C:9]([CH2:11][O:12][CH3:13])=[N:10][C:2]=3[NH2:1])[CH:27]=[CH:28][CH:29]=2)=[CH:17][CH:16]=1 | 2 |
BrC1=C(C=C(C=C1)Br)[N+](=O)[O-]>C(C)(=O)OCC.C(O)CN>BrC1=CC2=C(N(C=N2)CCO)C=C1 | 3 |
COCCCN1N=C(C2=CC=C(C=C12)\C=C(\C(=O)OCC)/C(C)C)C>>N.COCCCN1N=C(C2=CC=C(C=C12)\C=C(\CO)/C(C)C)C | 5 |
CI.N=1N=C(NC1)C(CC)(CC)C=1C=CC(=NC1OC)C1=CC(=C2C=NN(C2=C1)CC)F>C1CCCO1.[H-].[Na+]>C(C)N1N=CC2=C(C=C(C=C12)C1=NC(=C(C=C1)C(CC)(CC)C1=NN=CN1C)OC)F | 3 |
FC=1C=C(OC2=C(C=CC=C2)Br)C=CC1>C1CCCO1.C(C)(C)(C)[Li].CCCCC>FC=1C=C(OC2=C(C=CC=C2)[Li])C=CC1 | 3 |
[Br:1][C:2]1[CH:3]=[C:4]([CH:8]=[CH:9][C:10]=1[OH:11])[C:5]([OH:7])=[O:6].[CH2:12](Br)[CH2:13][CH2:14][CH2:15][CH3:16]>>[Br:1][C:2]1[CH:3]=[C:4]([CH:8]=[CH:9][C:10]=1[O:11][CH2:12][CH2:13][CH2:14][CH2:15][CH3:16])[C:5]([OH:7])=[O:6] | 1 |
C(C)(C)(C)OC(=O)N1CCC(CC1)OC1=C(C(=CC(=C1)OCC)C(C(=O)OCC)NC1=CC=C(C=C1)C#N)F>>C(C)OC(C(C1=C(C(=CC(=C1)OCC)OC1CCNCC1)F)NC1=CC=C(C=C1)C#N)=O | 5 |
ClC1C=CC=CC=1C1N=C2C=CC=CN2C=1C(O)=O.[Cl:20][C:21]1[CH:26]=[CH:25][C:24]([Cl:27])=[CH:23][C:22]=1[C:28]1[N:29]=[C:30]2[CH2:35][CH2:34][CH2:33][CH2:32][N:31]2[C:36]=1[C:37]([O:39]CC)=[O:38].[Li+].[OH-]>CO>[Cl:20][C:21]1[CH:26]=[CH:25][C:24]([Cl:27])=[CH:23][C:22]=1[C:28]1[N:29]=[C:30]2[CH2:35][CH2:34][CH2:33][CH2:32][N:31]2[C:36]=1[C:37]([OH:39])=[O:38] | 2 |
C(C)I.C1(CCC1)[C@@H](C)NC1=C2N(C(=NC2=NC(=N1)C(=O)OC)C1=C(C=CC(=C1)C(C)C)O)CC1=CC=C(C=C1)C(F)(F)F>>C1(CCC1)[C@@H](C)NC1=C2N(C(=NC2=NC(=N1)C(=O)OC)C1=C(C=CC(=C1)C(C)C)OCC)CC1=CC=C(C=C1)C(F)(F)F | 5 |
CS(O)(=O)=O.[NH2:6][CH2:7][C:8]1[CH:9]=[C:10]2[C:14](=[CH:15][CH:16]=1)[C:13](=[O:17])[N:12]([CH:18]1[CH2:23][CH2:22][C:21](=[O:24])[NH:20][C:19]1=[O:25])[CH2:11]2.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[Cl:50][C:51]1[CH:52]=[C:53]([C:57]([F:62])([F:61])[C:58](O)=[O:59])[CH:54]=[CH:55][CH:56]=1.C(N(C(C)C)C(C)C)C>CN(C=O)C.O>[Cl:50][C:51]1[CH:52]=[C:53]([C:57]([F:61])([F:62])[C:58]([NH:6][CH2:7][C:8]2[CH:9]=[C:10]3[C:14](=[CH:15][CH:16]=2)[C:13](=[O:17])[N:12]([CH:18]2[CH2:23][CH2:22][C:21](=[O:24])[NH:20][C:19]2=[O:25])[CH2:11]3)=[O:59])[CH:54]=[CH:55][CH:56]=1 | 2 |
NC=1SC2=C(N1)C(=CC(=C2)C(=O)OC)C2CC1(C2)CCOCC1>CC#N.[Cu](Br)Br.N(=O)OC(C)(C)C>BrC=1SC2=C(N1)C(=CC(=C2)C(=O)OC)C2CC1(C2)CCOCC1 | 3 |
[CH3:1][S:2]([C:5]1[CH:10]=[CH:9][C:8]([C:11]2[CH:12]=[CH:13][C:14]([O:17][CH2:18][CH:19]3[CH2:24][CH2:23][NH:22][CH2:21][CH2:20]3)=[N:15][CH:16]=2)=[CH:7][CH:6]=1)(=[O:4])=[O:3].[CH:25]1([C:31](O)=[O:32])[CH2:30][CH2:29][CH2:28][CH2:27][CH2:26]1>>[CH:25]1([C:31]([N:22]2[CH2:23][CH2:24][CH:19]([CH2:18][O:17][C:14]3[CH:13]=[CH:12][C:11]([C:8]4[CH:9]=[CH:10][C:5]([S:2]([CH3:1])(=[O:3])=[O:4])=[CH:6][CH:7]=4)=[CH:16][N:15]=3)[CH2:20][CH2:21]2)=[O:32])[CH2:30][CH2:29][CH2:28][CH2:27][CH2:26]1 | 2 |
FC(C1=CC=C(C=C1)C1=NN2C(NC=3C=CC=CC3C2=N1)=O)(F)F>C(C)(C)N(C(C)C)CC.P(=O)(Cl)(Cl)Cl>ClC1=NC=2C=CC=CC2C=2N1N=C(N2)C2=CC=C(C=C2)C(F)(F)F | 3 |
C=CCCCC.FC(C(F)F)(OC=1C=C(C=CC1)NC1=NC=CC(=N1)C1=CC(=NC=C1)C#N)F>O(O[H])[H].CO[H].C([O-])([O-])=O.[Na+].[Na+]>FC(C(F)F)(OC=1C=C(C=CC1)NC1=NC=CC(=N1)C1=CC(=NC=C1)C(N)=O)F | 3 |
Cl.C(#N)C=1C=C(N)C=CC1OCC(C)C>N(=O)[O-].[Na+].O.O.[Sn](Cl)Cl>C(#N)C=1C=C(C=CC1OCC(C)C)NN | 3 |
[NH2:1][CH2:2][C:3]1[CH:4]=[C:5]([CH:19]=[C:20]([Br:22])[CH:21]=1)[CH2:6][O:7][C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=1[CH2:14][C:15]([O:17][CH3:18])=[O:16].[F:23][C:24]([F:34])([F:33])[C:25]([C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1)=O.[BH3-]C#N.[Na+]>C1(C)C=CC=CC=1.CC(O)=O>[Br:22][C:20]1[CH:19]=[C:5]([CH:4]=[C:3]([CH2:2][NH:1][CH:25]([C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=2)[C:24]([F:33])([F:23])[F:34])[CH:21]=1)[CH2:6][O:7][C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=1[CH2:14][C:15]([O:17][CH3:18])=[O:16] | 2 |
C([N:14]1[CH2:17][CH:16]([C:18]([CH2:20][N-:21][CH3:22])=[O:19])[CH2:15]1)(C1C=CC=CC=1)C1C=CC=CC=1.[ClH:23]>C(O)C.[C].[Pd]>[ClH:23].[NH:14]1[CH2:17][CH:16]([C:18]([CH2:20][N-:21][CH3:22])=[O:19])[CH2:15]1 | 1 |
C(C)OP(=O)(OCC)C(CC(=O)N1C(CN(CC1)C1=C(C=C2C(C(=CN(C2=C1OC)C1CC1)C(=O)O)=O)F)C)P(=O)(OCC)OCC>ClCCl.C[Si](C)(C)Br>P(=O)(O)(O)C(CC(=O)N1C(CN(CC1)C1=C(C=C2C(C(=CN(C2=C1OC)C1CC1)C(=O)O)=O)F)C)P(=O)(O)O | 3 |
[F:1][C:2]1[CH:23]=[CH:22][CH:21]=[C:20]([F:24])[C:3]=1[C:4]([NH:6][C:7]1[CH:12]=[N:11][C:10]([C:13]2[CH2:14][NH:15][CH2:16][CH2:17][C:18]=2[CH3:19])=[CH:9][N:8]=1)=[O:5].[CH3:25][N:26]([CH3:31])[S:27](Cl)(=[O:29])=[O:28].C(N(CC)CC)C>>[CH3:25][N:26]([CH3:31])[S:27]([N:15]1[CH2:16][CH2:17][C:18]([CH3:19])=[C:13]([C:10]2[N:11]=[CH:12][C:7]([NH:6][C:4](=[O:5])[C:3]3[C:2]([F:1])=[CH:23][CH:22]=[CH:21][C:20]=3[F:24])=[N:8][CH:9]=2)[CH2:14]1)(=[O:29])=[O:28] | 2 |
ClC1=C(C(=O)Cl)C=CC=N1.C(C)(C)(C)OC(NC1CC(CC1)CN)=O>>C(C)(C)(C)OC(NC1CC(CC1)CNC(=O)C=1C(=NC=CC1)Cl)=O | 5 |
C(C1=CC=CC=C1)#N.OC1(CCC1)CC(=O)OCC>S(O)(O)(=O)=O>C(C1=CC=CC=C1)(=O)NC1(CCC1)CC(=O)OCC | 3 |
[NH2:1][C:2]1[C:6]2[CH:7]=[N:8][C:9]([NH:11][C:12]([NH:14][C@@H:15]([C:17]3[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=3)[CH3:16])=[O:13])=[CH:10][C:5]=2[N:4](C(C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[N:3]=1.C([SiH](CC)CC)C.FC(F)(F)C(O)=O>C(Cl)Cl>[NH2:1][C:2]1[C:6]2[CH:7]=[N:8][C:9]([NH:11][C:12]([NH:14][C@@H:15]([C:17]3[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=3)[CH3:16])=[O:13])=[CH:10][C:5]=2[NH:4][N:3]=1 | 1 |
[CH3:1][O:2][C:3]1[CH:12]=[C:11]2[C:6]([C:7](=[O:13])[CH2:8][S:9][CH2:10]2)=[CH:5][CH:4]=1.C[Si]([N-][Si](C)(C)C)(C)C.[Na+].[F:24][C:25]([F:34])([F:33])[C:26](C1NC=CN=1)=[O:27].Cl>O1CCCC1>[CH3:1][O:2][C:3]1[CH:12]=[C:11]2[C:6]([C:7](=[O:13])[CH:8]([C:26](=[O:27])[C:25]([F:34])([F:33])[F:24])[S:9][CH2:10]2)=[CH:5][CH:4]=1 | 1 |
ClC1=NC=NC(=C1)OCC#CC>C(Cl)(Cl)(Cl)[H].CCN(CC)CC.C1(=CC=CC=C1)S>C(C#CC)OC1=NC=NC(=C1)SC1=CC=CC=C1 | 3 |
[Si](C)(C)(C(C)(C)C)OC(CF)C1=CC=C(C=N1)NC(OCC1=CC=CC=C1)=O>CO[H].[HH].[Pd]>[Si](C)(C)(C(C)(C)C)OC(CF)C1=CC=C(C=N1)N | 3 |
CC(C)([O-])C.[K+].C(S)CCCCCCCCCCC.[Cl-].C[O:22][C:23]1[CH:24]=[N:25][C:26]([CH3:30])=[NH+:27][C:28]=1[CH3:29]>C(O)CCC>[CH3:30][C:26]1[N:27]=[C:28]([CH3:29])[C:23]([OH:22])=[CH:24][N:25]=1 | 1 |
FC=1C=C(CN2N=CC3=CC(=CC=C23)[N+](=O)[O-])C=CC1>CCO[H].[HH].[Pt]>FC=1C=C(CN2N=CC3=CC(=CC=C23)N)C=CC1 | 3 |
O=S(Cl)Cl.[NH2:5][C@H:6]([C:14]([OH:16])=[O:15])[CH2:7][C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1.[CH3:17]O>>[CH3:17][O:15][C:14](=[O:16])[C@H:6]([CH2:7][C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)[NH2:5] | 1 |
[NH2:1][N:2]1[CH2:7][CH2:6][C:5]([CH2:9][CH2:10][C:11]2[C:20]3[C:15](=[CH:16][CH:17]=[C:18]([O:21][CH3:22])[N:19]=3)[N:14]=[CH:13][CH:12]=2)([OH:8])[CH2:4][CH2:3]1.[O:23]=[C:24]1[CH2:29][S:28][C:27]2[CH:30]=[CH:31][C:32]([C:34](O)=[O:35])=[N:33][C:26]=2[NH:25]1.C(Cl)CCl.C1C=CC2N(O)N=NC=2C=1>C(Cl)Cl.CN(C=O)C>[OH:8][C:5]1([CH2:9][CH2:10][C:11]2[C:20]3[C:15](=[CH:16][CH:17]=[C:18]([O:21][CH3:22])[N:19]=3)[N:14]=[CH:13][CH:12]=2)[CH2:6][CH2:7][N:2]([NH:1][C:34]([C:32]2[CH:31]=[CH:30][C:27]3[S:28][CH2:29][C:24](=[O:23])[NH:25][C:26]=3[N:33]=2)=[O:35])[CH2:3][CH2:4]1 | 2 |
[C:1]1(=[O:32])[N:5]([CH2:6][C:7]2[CH:8]=[C:9]3[C:13](=[CH:14][CH:15]=2)[C:12](=O)[CH:11]([N:17]2[CH:21]=[CH:20][N:19]=[C:18]2[C:22](OCC)=[O:23])[CH2:10]3)[C:4](=[O:27])[C:3]2=[CH:28][CH:29]=[CH:30][CH:31]=[C:2]12.C([O-])(=O)C.[NH4+:37]>C(O)(=O)C>[C:4]1(=[O:27])[N:5]([CH2:6][C:7]2[CH:15]=[CH:14][C:13]3[C:12]4[NH:37][C:22](=[O:23])[C:18]5[N:17]([CH:21]=[CH:20][N:19]=5)[C:11]=4[CH2:10][C:9]=3[CH:8]=2)[C:1](=[O:32])[C:2]2=[CH:31][CH:30]=[CH:29][CH:28]=[C:3]12 | 1 |
NC1=CC=CC=C1.COC=1C=C2C=CC(=CC2=CC1)C(CCC(=O)C1=CC=CC=C1)=O>>COC=1C=C2C=CC(=CC2=CC1)C=1N(C(=CC1)C1=CC=CC=C1)C1=CC=CC=C1 | 3 |
CC=1C=C(C=CC1)N1C(N(C(NC1=O)=O)C=1C=CC(=C(OCC(=O)OCC)C1)OC1=CC=CC=C1)=O>O.C1CCCO1.[OH-].[Li+]>CC=1C=C(C=CC1)N1C(N(C(NC1=O)=O)C=1C=CC(=C(OCC(=O)O)C1)OC1=CC=CC=C1)=O | 3 |
ClC1=CC=CC(=N1)C(=O)O.N(N)C1=CC=C(N=N1)N(C1=CC=CC=C1)C>ClCCl.Cl>ClC1=CC=CC(=N1)C(=O)NNC=1N=NC(=CC1)N(C1=CC=CC=C1)C | 3 |
[NH2:1][C:2]1[CH:6]=[CH:5][NH:4][N:3]=1.CC([O-])(C)C.[K+].I[CH2:14][C:15]([O:17][CH2:18][CH3:19])=[O:16]>CN(C=O)C>[CH2:18]([O:17][C:15](=[O:16])[CH2:14][N:4]1[CH:5]=[CH:6][C:2]([NH2:1])=[N:3]1)[CH3:19] | 1 |
[N:1]1([CH2:7][CH2:8][N:9]2[C:13]3[CH:14]=[CH:15][CH:16]=[CH:17][C:12]=3[NH:11][C:10]2=[O:18])[CH2:6][CH2:5][O:4][CH2:3][CH2:2]1.C(N(CC)CC)C.[Cl:26][C:27](OC1C=CC([N+]([O-])=O)=CC=1)=[O:28].Cl.[NH2:40][C@H:41]([C:46]([NH2:48])=[O:47])[C@H:42]([CH2:44][CH3:45])[CH3:43]>ClCCl>[ClH:26].[NH2:48][C:46]([C@@H:41]([NH:40][C:27]([N:11]1[C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=2[N:9]([CH2:8][CH2:7][N:1]2[CH2:6][CH2:5][O:4][CH2:3][CH2:2]2)[C:10]1=[O:18])=[O:28])[C@@H:42]([CH3:43])[CH2:44][CH3:45])=[O:47] | 1 |
ClC=1C(=C(C=CC1)N1C(C2=C(C=C(C=C2C=C1)C1CC1)F)=O)CO.CN1C(=CC(=C1)B1OC(C(O1)(C)C)(C)C)C(=O)N>O.O1CCOCC1.[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.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].P(c2ccccc2c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C3CCCCC3)C4CCCCC4>C1(CC1)C=1C=C2C=CN(C(C2=C(C1)F)=O)C=1C(=C(C=CC1)C=1C=C(N(C1)C)C(=O)N)CO | 3 |
[Br:1][C:2]1[N:7]=[C:6]([NH2:8])[CH:5]=[CH:4][CH:3]=1.[F:9][C:10]1([CH:16]=O)[CH2:15][CH2:14][O:13][CH2:12][CH2:11]1.C(O)(=O)C.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>ClCCl.C(=O)(O)[O-].[Na+]>[Br:1][C:2]1[N:7]=[C:6]([NH:8][CH2:16][C:10]2([F:9])[CH2:15][CH2:14][O:13][CH2:12][CH2:11]2)[CH:5]=[CH:4][CH:3]=1 | 2 |
CN.NC1=NNC2=C(C=C(C=C12)C1=C(C(=CC=C1)N1C(C2=C(C=C(C=C2C=N1)C(C)(C)C)F)=O)CO)C(=O)O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>NC1=NNC2=C(C=C(C=C12)C1=C(C(=CC=C1)N1C(C2=C(C=C(C=C2C=N1)C(C)(C)C)F)=O)CO)C(=O)NC | 3 |
[N:1]([CH2:4][C@@H:5]1[O:9][C:8](=[O:10])[N:7]([C:11]2[CH:29]=[CH:28][C:14]([C:15]([NH:17][NH:18][C:19](=O)[CH2:20][C:21]3[CH:26]=[CH:25][CH:24]=[CH:23][N:22]=3)=[O:16])=[C:13]([F:30])[CH:12]=2)[CH2:6]1)=[N+:2]=[N-:3].C(#N)C.O=P(Cl)(Cl)Cl>CN(C1C=CN=CC=1)C>[N:1]([CH2:4][C@@H:5]1[O:9][C:8](=[O:10])[N:7]([C:11]2[CH:29]=[CH:28][C:14]([C:15]3[O:16][C:19]([CH2:20][C:21]4[CH:26]=[CH:25][CH:24]=[CH:23][N:22]=4)=[N:18][N:17]=3)=[C:13]([F:30])[CH:12]=2)[CH2:6]1)=[N+:2]=[N-:3] | 2 |
COC=1C(=CC=CC1)N.C(#CC(=O)OC)C(=O)OC>C1(=CC=CC=C1)C.CO[H].C1(=CC=CC=C1)OC1=CC=CC=C1>COC(=O)C1=NC2=C(C=CC=C2C(=C1)O)OC | 3 |
OCC=1C=C(C2=C(C(CO2)(C)C)C1)C=1C=C(C=O)C=CC1OC(F)(F)F>C1(=CC=CC=C1)C.Cl>ClCC=1C=C(C2=C(C(CO2)(C)C)C1)C=1C=C(C=O)C=CC1OC(F)(F)F | 3 |
[O:1]1[C:5]2([CH2:10][CH2:9][C:8]([CH2:13][OH:14])([CH2:11][OH:12])[CH2:7][CH2:6]2)[O:4][CH2:3][CH2:2]1.[H-].[Na+].[S:17](Cl)([C:20]1[CH:26]=[CH:25][C:23]([CH3:24])=[CH:22][CH:21]=1)(=[O:19])=[O:18]>C1COCC1>[CH3:24][C:23]1[CH:25]=[CH:26][C:20]([S:17]([O:14][CH2:13][C:8]2([CH2:11][OH:12])[CH2:7][CH2:6][C:5]3([O:4][CH2:3][CH2:2][O:1]3)[CH2:10][CH2:9]2)(=[O:19])=[O:18])=[CH:21][CH:22]=1 | 2 |
C(C)N1C=C(C(C2=CC(=C(N=C12)O)F)=O)C(=O)O>P(=O)(Cl)(Cl)Cl>ClC1=C(C=C2C(C(=CN(C2=N1)CC)C(=O)O)=O)F | 3 |
[C:1]([OH:8])(=[O:7])/[CH:2]=[CH:3]\[C:4]([OH:6])=[O:5].[NH:9]([C:13]1[S:14][CH:15]=[C:16]([CH2:18][S:19][CH2:20][CH2:21][NH:22][C:23]([NH:25][CH3:26])=[S:24])[N:17]=1)[C:10]([NH2:12])=[NH:11].C[I:28]>C(O)C>[IH:28].[C:1]([OH:8])(=[O:7])/[CH:2]=[CH:3]\[C:4]([OH:6])=[O:5].[NH:9]([C:13]1[S:14][CH:15]=[C:16]([CH2:18][S:19][CH2:20][CH2:21][NH:22][C:23](=[N:25][CH3:26])[S:24][CH3:1])[N:17]=1)[C:10]([NH2:12])=[NH:11] | 1 |
[CH3:1][C:2](=[CH:4][CH:5]=[C:6]([CH3:8])[CH3:7])[CH3:3].[N+](=[CH:11][C:12]([O:14][C:15]([CH3:18])([CH3:17])[CH3:16])=[O:13])=[N-]>>[CH3:7][C:6]1([CH3:8])[CH:5]([CH:4]=[C:2]([CH3:3])[CH3:1])[CH:11]1[C:12]([O:14][C:15]([CH3:18])([CH3:17])[CH3:16])=[O:13] | 1 |
O.Cl.[NH:3]1[CH2:8][CH2:7][C:6](=[O:9])[CH2:5][CH2:4]1.[OH-].[Na+].[CH:12]([O:15][C:16]1[CH:24]=[CH:23][C:19]([C:20](Cl)=[O:21])=[CH:18][C:17]=1[O:25][CH3:26])([CH3:14])[CH3:13].C(Cl)Cl>C1(C)C=CC=CC=1.O>[CH:12]([O:15][C:16]1[CH:24]=[CH:23][C:19]([C:20]([N:3]2[CH2:8][CH2:7][C:6](=[O:9])[CH2:5][CH2:4]2)=[O:21])=[CH:18][C:17]=1[O:25][CH3:26])([CH3:14])[CH3:13] | 1 |
BrCC1=C(C=C(C=C1)C#CC1=CC=C(C(=O)OCC)C=C1)C>>N1(C=NC=C1)C1=C(C(=C(C=C1)C#CC1=CC=C(C(=O)OCC)C=C1)C)C | 5 |
C[Li].[CH3:3][CH:4]([CH2:6][CH2:7][CH2:8][C@H:9]([C@@H:11]1[C@:28]2([CH3:29])[C@H:14]([C:15]3[CH2:16][CH2:17][C:18]4[C@:23]([C:25]=3[CH2:26][CH2:27]2)([CH3:24])[CH2:22][CH2:21][C:20](=[O:30])[CH:19]=4)[CH2:13][CH2:12]1)[CH3:10])[CH3:5].[Cl-].[NH4+]>C(OCC)C>[CH3:5][CH:4]([CH2:6][CH2:7][CH2:8][C@H:9]([C@@H:11]1[C@:28]2([CH3:29])[C@H:14]([C:15]3[CH2:16][CH2:17][CH:18]4[C@:23]([C:25]=3[CH2:26][CH2:27]2)([CH3:24])[CH2:22][CH2:21][C:20](=[O:30])[CH2:19]4)[CH2:13][CH2:12]1)[CH3:10])[CH3:3] | 1 |
COC1=CC=C(CN2C[C@@H](CC[C@H]2C)CO)C=C1>>COC1=CC=C(CN2C[C@@H](CC[C@H]2C)C=O)C=C1 | 5 |
CC(C#N)(C)C1=NC=C(C=C1C(F)(F)F)[N+](=O)[O-]>>NC=1C=C(C(=NC1)C(C#N)(C)C)C(F)(F)F | 5 |
C(N(CC)CC)C.[CH:8]1[CH:13]=[C:12]2[C:14]([C:17]([C:19](Cl)=[O:20])=[O:18])=[CH:15][NH:16][C:11]2=[CH:10][CH:9]=1.[C:22]([NH:30][CH2:31][CH2:32][CH:33]1[CH2:37][CH2:36][CH2:35][NH:34]1)(=[O:29])[C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1>C1COCC1>[C:22]([NH:30][CH2:31][CH2:32][CH:33]1[CH2:37][CH2:36][CH2:35][N:34]1[C:19](=[O:20])[C:17]([C:14]1[C:12]2[C:11](=[CH:10][CH:9]=[CH:8][CH:13]=2)[NH:16][CH:15]=1)=[O:18])(=[O:29])[C:23]1[CH:24]=[CH:25][CH:26]=[CH:27][CH:28]=1 | 1 |
C(C)(C)(C)NC(=O)C1=CN(C2=NC=C(N=C21)N2N=CC1=CC(=CC=C21)Cl)COCC[Si](C)(C)C>ClCCl.C(=O)(C(F)(F)F)O>C(C)(C)(C)NC(=O)C1=CNC2=NC=C(N=C21)N2N=CC1=CC(=CC=C21)Cl | 3 |
C(C)(C)N1CCC(CC1)NS(=O)(=O)CCNC(=O)C=1SC(=CC1)Cl.ClCC=1SC(=NN1)C1CC1>>C1(CC1)C1=NN=C(S1)CN(S(=O)(=O)CCNC(=O)C=1SC(=CC1)Cl)C1CCN(CC1)C(C)C | 3 |
C(C1=CC=CC=C1)N.C(C)(C)(C)O.C1(CCCC1)=O>C=O.Cl.C(C)(=O)O>C(C1=CC=CC=C1)N1CC2CCC(C1)C2=O | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.CC1=C(C=CC=C1[N+](=O)[O-])CCNCCC>ClCCl>C(C)(C)(C)OC(N(CCC)CCC1=C(C(=CC=C1)[N+](=O)[O-])C)=O | 3 |
[NH2:1][C:2]1[C:11]2[C:6](=[C:7](Br)[CH:8]=[CH:9][CH:10]=2)[N:5]=[N:4][C:3]=1[C:13]([NH:15][CH2:16][CH2:17][CH3:18])=[O:14].[CH3:19][N:20]([CH3:30])[C:21]1[CH:22]=[C:23](B(O)O)[CH:24]=[CH:25][CH:26]=1>>[NH2:1][C:2]1[C:11]2[C:6](=[C:7]([C:25]3[CH:24]=[CH:23][CH:22]=[C:21]([N:20]([CH3:30])[CH3:19])[CH:26]=3)[CH:8]=[CH:9][CH:10]=2)[N:5]=[N:4][C:3]=1[C:13]([NH:15][CH2:16][CH2:17][CH3:18])=[O:14] | 1 |
C(C1=CC=CC=C1)S.ClC1=NC=C(C(=C1)C(F)(F)F)Cl>O1CCOCC1.C(C)(C)N(C(C)C)CC.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.[Pd].[Pd].C1(=CC=CC=C1)P(C1=CC=CC=2C(C3=CC=CC(=C3OC12)P(C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C1=CC=CC=C1>C(C1=CC=CC=C1)SC1=NC=C(C(=C1)C(F)(F)F)Cl | 3 |
CI.NC=1C(=NC=NC1Cl)Cl>>ClC1=NC=NC(=C1NC)Cl | 5 |
[Cl:1][C:2]1[C:11]([C:12]([OH:14])=O)=[CH:10][C:9]2[C:4](=[CH:5][C:6]([Cl:16])=[C:7]([F:15])[CH:8]=2)[N:3]=1.[Mg].S(=O)(=O)(O)[OH:19].[O:23]1[CH2:27][CH2:26][CH2:25][CH2:24]1>ClC(Cl)Cl.S(Cl)(Cl)=O>[Cl:1][C:2]1[C:11]([C:12](=[O:14])[CH2:25][C:24]([O:23][CH2:27][CH3:26])=[O:19])=[CH:10][C:9]2[C:4](=[CH:5][C:6]([Cl:16])=[C:7]([F:15])[CH:8]=2)[N:3]=1 | 1 |
N(N)C(=O)OCC.N1=CC=C(C2=CC=CC=C12)C=O>CCO[H]>N1=CC=C(C2=CC=CC=C12)C=NNC(=O)OCC | 3 |
ClC1=C2C=C(N(C2=CC=C1OC)C)C(=O)OC>O.C1CCCO1.[OH-].[Li+]>ClC1=C2C=C(N(C2=CC=C1OC)C)C(=O)O | 3 |
[NH:1]1[CH2:4][CH:3]([OH:5])[CH2:2]1.CCN(C(C)C)C(C)C.[CH3:15][S:16](Cl)(=[O:18])=[O:17]>O1CCCC1>[CH3:15][S:16]([O:5][CH:3]1[CH2:4][N:1]([S:16]([CH3:15])(=[O:18])=[O:17])[CH2:2]1)(=[O:18])=[O:17] | 1 |
COCOC=1C=C(C=CC1)C(C1CCOCC1)=O>C1CCCO1.Cl>OC=1C=C(C=CC1)C(C1CCOCC1)=O | 3 |
[I:1][C:2]1[NH:6][C:5]([C@@H:7]2[CH2:11][CH2:10][CH2:9][N:8]2C(OC(C)(C)C)=O)=[N:4][CH:3]=1.Cl.O1CCOCC1>>[I:1][C:2]1[NH:6][C:5]([C@@H:7]2[CH2:11][CH2:10][CH2:9][NH:8]2)=[N:4][CH:3]=1 | 2 |
[NH:1]1[C:9]2[CH:8]=[CH:7][CH:6]=[C:5]3[CH2:10][CH2:11][CH2:12][CH:3]([C:4]=23)[C:2]1=[O:13].[H-].[Na+].[Br:16][CH2:17][CH2:18]Br>CN(C)C=O>[Br:16][CH2:17][CH2:18][N:1]1[C:9]2[CH:8]=[CH:7][CH:6]=[C:5]3[CH2:10][CH2:11][CH2:12][CH:3]([C:4]=23)[C:2]1=[O:13] | 1 |
COC1=CC=C(C=C1)CCCBr.CN(CCNC(=O)C1=NC(=C(N=C1N)N)Cl)C>CC(=O)C>[Br-].NC=1C(=NC(=C(N1)N)Cl)C(=O)NCC[N+](C)(C)CCCC1=CC=C(C=C1)OC | 3 |
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