smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(OC(=O)[NH:7][CH:8]([C:12]([N:14]1[CH2:18][CH2:17][CH2:16][CH:15]1[CH2:19][O:20][CH2:21][C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1)=[O:13])[CH:9]([CH3:11])[CH3:10])(C)(C)C.C(O)(C(F)(F)F)=O>C(Cl)Cl>[NH2:7][CH:8]([CH:9]([CH3:11])[CH3:10])[C:12]([N:14]1[CH2:18][CH2:17][CH2:16][CH:15]1[CH2:19][O:20][CH2:21][C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1)=[O:13] | 1 |
BrC1=CC(=C(C(=O)OC(C)(C)C)C=C1)F>>FC1=C(C(=O)OC(C)(C)C)C=CC(=C1)C=O | 5 |
[Cl:1][C:2]1[CH:3]=[C:4]2[C:20](=[C:21]([Cl:23])[CH:22]=1)[C:7]1([CH:12]=[CH:11][N:10](C(OC(C)(C)C)=O)[CH2:9][CH2:8]1)[N:6](CC1C=CC(OC)=CC=1)[C:5]2=[O:33]>C(O)(C(F)(F)F)=O.C(S(O)(=O)=O)(F)(F)F>[Cl:1][C:2]1[CH:3]=[C:4]2[C:20](=[C:21]([Cl:23])[CH:22]=1)[C:7]1([CH:8]=[CH:9][NH:10][CH2:11][CH2:12]1)[NH:6][C:5]2=[O:33] | 1 |
C1(=CC=CC=C1)N=C=O.COC1=CC=C(CN(C2=NC(=NC(=N2)C)C=2C(=NC=CC2)NC=2C=CC(=NC2)N)CC2=CC=C(C=C2)OC)C=C1>C1CCCO1>COC1=CC=C(CN(C2=NC(=NC(=N2)C)C=2C(=NC=CC2)NC=2C=CC(=NC2)NC(=O)NC2=CC=CC=C2)CC2=CC=C(C=C2)OC)C=C1 | 3 |
C(C=C)(=O)OC(C)(C)C.C(C)OC(=O)C=1SC(=CC1C)Br>CC#N.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.CCN(CC)CC.CC1=C(C=CC=C1)P(C1=C(C=CC=C1)C)C1=C(C=CC=C1)C>C(C)(C)(C)OC(/C=C/C1=CC(=C(S1)C(=O)OCC)C)=O | 3 |
C(CCC)N1CCC2=CC=C(C=C12)C(=O)OC>CO[H].[OH-].[Na+]>C(CCC)N1CCC2=CC=C(C=C12)C(=O)O | 3 |
[Cl:1][C:2]1[CH:11]=[C:10]2[C:5]([C:6]([N:13]3[CH2:18][CH2:17][NH:16][CH2:15][CH2:14]3)=[CH:7][C:8]([NH2:12])=[N:9]2)=[CH:4][CH:3]=1.[CH2:19]([O:21][C:22](=[O:27])[CH2:23][N:24]=[C:25]=[O:26])[CH3:20].C(N(C(C)C)CC)(C)C>>[CH2:19]([O:21][C:22](=[O:27])[CH2:23][NH:24][C:25]([N:16]1[CH2:17][CH2:18][N:13]([C:6]2[C:5]3[C:10](=[CH:11][C:2]([Cl:1])=[CH:3][CH:4]=3)[N:9]=[C:8]([NH2:12])[CH:7]=2)[CH2:14][CH2:15]1)=[O:26])[CH3:20] | 1 |
Cl.Cl.[S:3]1[CH:7]=[C:6]([CH2:8][N:9]2[CH2:13][C@@H:12]([C:14]3[CH:19]=[CH:18][C:17]([F:20])=[C:16]([F:21])[CH:15]=3)[C@H:11]([NH2:22])[CH2:10]2)[N:5]=[N:4]1.[C:23]1([N:29]2[C:33]([NH:34][C:35](=O)[O:36]C3C=CC=CC=3)=[C:32]3[CH2:44][CH2:45][CH2:46][C:31]3=[N:30]2)[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1.CCN(C(C)C)C(C)C>CN(C=O)C>[S:3]1[CH:7]=[C:6]([CH2:8][N:9]2[CH2:13][C@@H:12]([C:14]3[CH:19]=[CH:18][C:17]([F:20])=[C:16]([F:21])[CH:15]=3)[C@H:11]([NH:22][C:35]([NH:34][C:33]3[N:29]([C:23]4[CH:24]=[CH:25][CH:26]=[CH:27][CH:28]=4)[N:30]=[C:31]4[CH2:46][CH2:45][CH2:44][C:32]=34)=[O:36])[CH2:10]2)[N:5]=[N:4]1 | 2 |
S1C(=CC=C1)C#N>CO[H].C[O-].[Na+].C(C)(=O)O>S1C(=CC=C1)C(OC)=N | 3 |
ClC=1C=CC(=C(C1)C=1N(C(=CC1C#N)B1OC(C(O1)(C)C)(C)C)COCC[Si](C)(C)C)C.IC1=CC(=NC=N1)N>>NC1=CC(=NC=N1)C1=CC(=C(N1COCC[Si](C)(C)C)C1=C(C=CC(=C1)Cl)C)C#N | 5 |
FC1=CC=C2CCN(CC2=C1)C(C(F)(F)F)=O>>FC1=C(C=C2CCN(CC2=C1)C(C(F)(F)F)=O)[N+](=O)[O-] | 5 |
C1(=CC=CC=C1)C(=NN)C1=CC=NC=C1>C(Cl)(Cl)(Cl)[H].[O-2].[O-2].[Mn+4]>[N+](=[N-])=C(C1=CC=NC=C1)C1=CC=CC=C1 | 3 |
C(N)=[O:2].[CH3:4][O:5][C:6]1[CH:15]=[C:14]([O:16][CH3:17])[CH:13]=[C:12]([O:18][CH3:19])[C:7]=1[CH2:8]NC=O>C(O)=O>[CH3:4][O:5][C:6]1[CH:15]=[C:14]([O:16][CH3:17])[CH:13]=[C:12]([O:18][CH3:19])[C:7]=1[CH:8]=[O:2] | 1 |
[C:1]1(=[C:7]([C:10]2[CH:15]=[CH:14][C:13]([O:16][CH3:17])=[CH:12][CH:11]=2)[C:8]#[N:9])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.ClC1C=CC=C(C(OO)=[O:26])C=1>ClCCl>[CH3:17][O:16][C:13]1[CH:14]=[CH:15][C:10]([C:7]2([C:8]#[N:9])[C:1]3([CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]3)[O:26]2)=[CH:11][CH:12]=1 | 1 |
C1=C(C(=CC=C1)Br)Br>[Al](Cl)(Cl)Cl.C1(C=2C(C(=O)O1)=CC=CC2)=O>BrC1=CC=2C(C3=CC=CC=C3C(C2C=C1Br)=O)=O | 3 |
ClC1=CC=C(C=2OC3=CC=CC=C3C(C12)=O)C.CN(CCNN)C>O(O[H])[H].CCO[H].[HH]>CN(CCN1N=C2C=3C(=C(C=CC13)C)OC1=C2C=CC=C1)C.O.CN(CCN1[N+](=C2C=3C(=C(C=CC13)C)OC1=C2C=CC=C1)[O-])C.O.O.CN(C)CCN1[N+](=C2C=3C(=C(C=CC13)C)OC1=C2C=CC=C1)[O-] | 3 |
C(=O)[O-].[K+].COC=1C=C(C=C(C1)[N+](=O)[O-])NC=1C(=NC2=CC=CC=C2N1)NS(=O)(=O)C1=CC(=CC=C1)[N+](=O)[O-]>C1CCCO1.CCO[H].C(=O)O>NC=1C=C(C=CC1)S(=O)(=O)NC1=NC2=CC=CC=C2N=C1NC1=CC(=CC(=C1)OC)N | 3 |
FC1=C(C(=O)N)C(=CC(=C1)N1C=C(C=2C(CC(CC12)(C)C)=O)C)N[C@@H]1[C@H](CCC1)OCC1=CC=CC=C1>CO[H].C(=O)(C(F)(F)F)O.[HH].[Pd]>FC1=C(C(=O)N)C(=CC(=C1)N1C=C(C=2C(CC(CC12)(C)C)=O)C)N[C@@H]1[C@H](CCC1)O | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]2[C:8](=[C:9]([CH2:11][N:12]3[C:16]4[CH:17]=[CH:18][C:19]([CH3:21])=[CH:20][C:15]=4[NH:14][C:13]3=[O:22])[CH:10]=1)[N:7]([CH3:23])[C:6]([CH3:24])=[C:5]2[CH3:25].[C:26]([O:32][CH3:33])(=[O:31])[CH:27]=[CH:28][CH2:29][CH3:30].C([O-])([O-])=O.[K+].[K+]>CC(N(C)C)=O.C(OCC)(=O)C>[CH3:33][O:32][C:26](=[O:31])[CH2:27][CH:28]([N:14]1[C:15]2[CH:20]=[C:19]([CH3:21])[CH:18]=[CH:17][C:16]=2[N:12]([CH2:11][C:9]2[CH:10]=[C:2]([Cl:1])[CH:3]=[C:4]3[C:8]=2[N:7]([CH3:23])[C:6]([CH3:24])=[C:5]3[CH3:25])[C:13]1=[O:22])[CH2:29][CH3:30] | 1 |
[CH3:1][N:2]1[C:10]2[C:5](=[CH:6][C:7]([N+:11]([O-:13])=[O:12])=[CH:8][CH:9]=2)[CH:4]=[CH:3]1.[CH3:14][O:15][C:16]1[CH:17]=[C:18]([CH:23]=[CH:24][C:25]=1[CH2:26]Br)[C:19]([O:21][CH3:22])=[O:20].O1CCOCC1.C(OCC)(=O)C>CO>[CH3:14][O:15][C:16]1[CH:17]=[C:18]([CH:23]=[CH:24][C:25]=1[CH2:26][C:4]1[C:5]2[C:10](=[CH:9][CH:8]=[C:7]([N+:11]([O-:13])=[O:12])[CH:6]=2)[N:2]([CH3:1])[CH:3]=1)[C:19]([O:21][CH3:22])=[O:20] | 2 |
[C:1]([C:3]1[CH:10]=[CH:9][C:6]([CH:7]=[O:8])=[CH:5][CH:4]=1)#[N:2].[Cl:11][C:12]1[CH:17]=[CH:16][C:15]([Mg]Br)=[CH:14][CH:13]=1.C(OCC)C.Cl>C(=O)=O.CO>[Cl:11][C:12]1[CH:17]=[CH:16][C:15]([CH:7]([C:6]2[CH:9]=[CH:10][C:3]([C:1]#[N:2])=[CH:4][CH:5]=2)[OH:8])=[CH:14][CH:13]=1 | 1 |
[C:1](OC(OC(OC(C)(C)C)=O)=O)(OC(C)(C)C)=[O:2].[NH2:19][C:20]1[CH:29]=[C:28]2[C:23]([CH:24]=[CH:25][CH:26]=[N:27]2)=[CH:22][CH:21]=1.C(O)C(N)(CO)CO.[C:38]1([N:44]2[CH2:49][CH2:48][NH:47][CH2:46][CH2:45]2)[CH:43]=[CH:42][CH:41]=[CH:40][CH:39]=1>C(Cl)Cl>[C:38]1([N:44]2[CH2:49][CH2:48][N:47]([C:1]([NH:19][C:20]3[CH:29]=[C:28]4[C:23]([CH:24]=[CH:25][CH:26]=[N:27]4)=[CH:22][CH:21]=3)=[O:2])[CH2:46][CH2:45]2)[CH:43]=[CH:42][CH:41]=[CH:40][CH:39]=1 | 2 |
Br[C:2]1[CH:15]=[N:14][C:5]2[NH:6][C:7](=[O:13])[C:8]([CH3:12])([CH3:11])[NH:9][CH2:10][C:4]=2[CH:3]=1.[CH3:16][O:17][C:18]1[C:19]([O:31][CH2:32][CH2:33][CH3:34])=[C:20]([CH:28]=[CH:29][CH:30]=1)[CH2:21][N:22]([CH3:27])[C:23](=[O:26])[CH:24]=[CH2:25].C(N(C(C)C)C(C)C)C.CC1C=CC=CC=1P(C1C=CC=CC=1C)C1C=CC=CC=1C>C(#N)CC.CN(C=O)C.CC([O-])=O.CC([O-])=O.[Pd+2]>[CH3:11][C:8]1([CH3:12])[C:7](=[O:13])[NH:6][C:5]2[N:14]=[CH:15][C:2](/[CH:25]=[CH:24]/[C:23]([N:22]([CH2:21][C:20]3[CH:28]=[CH:29][CH:30]=[C:18]([O:17][CH3:16])[C:19]=3[O:31][CH2:32][CH2:33][CH3:34])[CH3:27])=[O:26])=[CH:3][C:4]=2[CH2:10][NH:9]1 | 2 |
Cl.CN.ClC=1C(=C(C=CC1)[C@H]1N(C[C@H]([C@]1(C#N)C1=C(C=C(C=C1)Cl)F)CC(C)(C)C)C(=O)NCCCC(=O)O)F>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.F[P-](F)(F)(F)(F)F>CNC(=O)CCCNC(=O)N1C(C(C(C1)CC(C)(C)C)(C#N)C1=C(C=C(C=C1)Cl)F)C1=C(C(=CC=C1)Cl)F | 3 |
C1(=CCCCC1)C1=C(C=C(C=C1)C1=NC(=NO1)C1=CC=C(C=C1)CN1N=C(C=C1)C(=O)OC)C(F)(F)F>>[Na+].C1(=CCCCC1)C1=C(C=C(C=C1)C1=NC(=NO1)C1=CC=C(C=C1)CN1N=C(C=C1)C(=O)[O-])C(F)(F)F | 5 |
ClC1=C(C(=CC(=C1)C#C[Si](C)(C)C)Cl)NC1=NC2=CC=NC=C2C2=C1C=CN=C2OC>>ClC1=C(C(=CC(=C1)C#C)Cl)NC1=NC2=CC=NC=C2C2=C1C=CN=C2OC | 5 |
N(=[N+]=[N-])[C@@H](C(=O)O)C1C2=C(CCC3=C1C=CC=C3)C=CC=C2>O.C1CCCO1.Cl.[HH].[Pd]C>Cl.NC(C(=O)O)C1C2=C(CCC3=C1C=CC=C3)C=CC=C2 | 3 |
C1(N)C(F)=C(F)C(F)=C(N)C=1F.Cl.Cl.[NH:15]1[C:23]2[C:18](=[CH:19][CH:20]=[CH:21][CH:22]=2)[C:17](/[CH:24]=[CH:25]/[C:26]2[CH:39]=[CH:38][C:29]([C:30]([N:32]3[CH2:37][CH2:36][NH:35][CH2:34][CH2:33]3)=[O:31])=[CH:28][CH:27]=2)=[N:16]1.CN1CCOCC1.Cl.C(N=C=NCCCN(C)C)C.O.ON1C2C=CC=CC=2N=N1.[C:70]([N:73]([CH2:75][C:76](O)=[O:77])[CH3:74])(=[O:72])[CH3:71]>>[C:70]([N:73]([CH2:75][C:76]([N:35]1[CH2:36][CH2:37][N:32]([C:30](=[O:31])[C:29]2[CH:28]=[CH:27][C:26](/[CH:25]=[CH:24]/[C:17]3[C:18]4[C:23](=[CH:22][CH:21]=[CH:20][CH:19]=4)[NH:15][N:16]=3)=[CH:39][CH:38]=2)[CH2:33][CH2:34]1)=[O:77])[CH3:74])(=[O:72])[CH3:71] | 1 |
[Cl:1][C:2]1[CH:17]=[CH:16][C:5]([O:6][C:7]2[CH:15]=[CH:14][C:10]([C:11](Cl)=[O:12])=[CH:9][CH:8]=2)=[C:4]([N+:18]([O-:20])=[O:19])[CH:3]=1.[CH2:21]([NH2:24])[CH2:22][CH3:23]>>[Cl:1][C:2]1[CH:17]=[CH:16][C:5]([O:6][C:7]2[CH:15]=[CH:14][C:10]([C:11]([NH:24][CH2:21][CH2:22][CH3:23])=[O:12])=[CH:9][CH:8]=2)=[C:4]([N+:18]([O-:20])=[O:19])[CH:3]=1 | 1 |
N1(CCOCC1)C1=CC=C(C=O)C=C1.NC1=C(C(=O)N)C(=CC(=C1)OC)OC>>COC1=C2C(NC(=NC2=CC(=C1)OC)C1=CC=C(C=C1)N1CCOCC1)=O | 5 |
[F:1][C:2]1[CH:10]=[CH:9][C:8]([CH2:11][C:12]2[C:21]3[C:16](=[CH:17][CH:18]=[CH:19][CH:20]=3)[C:15](=[O:22])[NH:14][N:13]=2)=[CH:7][C:3]=1[C:4](O)=[O:5].[N:23]1([C:29]([O:31][C:32]([CH3:35])([CH3:34])[CH3:33])=[O:30])[CH2:28][CH2:27][NH:26][CH2:25][CH2:24]1.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CCN(C(C)C)C(C)C>CN(C=O)C>[C:32]([O:31][C:29]([N:23]1[CH2:28][CH2:27][N:26]([C:4](=[O:5])[C:3]2[CH:7]=[C:8]([CH2:11][C:12]3[C:21]4[C:16](=[CH:17][CH:18]=[CH:19][CH:20]=4)[C:15](=[O:22])[NH:14][N:13]=3)[CH:9]=[CH:10][C:2]=2[F:1])[CH2:25][CH2:24]1)=[O:30])([CH3:35])([CH3:33])[CH3:34] | 1 |
CI.C(CCC)(=O)C=1C(OC2=CC(=CC=C2C1)O)=O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(CCC)(=O)C=1C(OC2=CC(=CC=C2C1)OC)=O | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C(C#C)(=O)OCC.ClC1=C(C=CC(=N1)N1CC2CC2C1)CC[N+](=O)[O-]>CC#N.C1(=CC=NC=C1)N(C)C>C12CN(CC2C1)C1=CC=C(C(=N1)Cl)CC1=NOC(=C1)C(=O)OCC | 3 |
ClC=1C(=CC=C2N=CC(=NC12)C=1C=NN(C1)CC(=O)N1CCCC1)OC1=CC2=C(N=C(N2COCC[Si](C)(C)C)C)C=C1>C(=O)(C(F)(F)F)O>ClC=1C(=CC=C2N=CC(=NC12)C=1C=NN(C1)CC(=O)N1CCCC1)OC1=CC2=C(N=C(N2)C)C=C1 | 3 |
[C:1]1([S:7]([N:10]=[C:11]=[O:12])(=[O:9])=[O:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.C(O)(C(F)(F)F)=O.[NH2:20][C@@H:21]([CH2:35][C:36]1[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=1)[C:22]([N:24]([C:26]1[CH:27]=[C:28]2[C:32](=[CH:33][CH:34]=1)[CH2:31][CH2:30][CH2:29]2)[CH3:25])=[O:23].C(N(CC)CC)C>C(Cl)Cl>[CH2:31]1[C:32]2[C:28](=[CH:27][C:26]([N:24]([CH3:25])[C:22](=[O:23])[C@@H:21]([NH:20][C:11]([NH:10][S:7]([C:1]3[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=3)(=[O:8])=[O:9])=[O:12])[CH2:35][C:36]3[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=3)=[CH:34][CH:33]=2)[CH2:29][CH2:30]1 | 2 |
Cl[C:2]1[C:11]([C:12]([OH:14])=[O:13])=[CH:10][C:9]2[C:4](=[CH:5][CH:6]=[C:7]([Cl:15])[CH:8]=2)[N:3]=1.[NH2:16][C@@H:17]([CH2:21][C:22]1[CH:27]=[CH:26][C:25]([O:28][C:29]2[CH:34]=[C:33]([CH3:35])[CH:32]=[CH:31][N:30]=2)=[CH:24][CH:23]=1)[C:18]([OH:20])=[O:19]>CS(C)=O>[C:18]([C@@H:17]([NH:16][C:2]1[C:11]([C:12]([OH:14])=[O:13])=[CH:10][C:9]2[C:4](=[CH:5][CH:6]=[C:7]([Cl:15])[CH:8]=2)[N:3]=1)[CH2:21][C:22]1[CH:27]=[CH:26][C:25]([O:28][C:29]2[CH:34]=[C:33]([CH3:35])[CH:32]=[CH:31][N:30]=2)=[CH:24][CH:23]=1)([OH:20])=[O:19] | 1 |
ClC=1C=C(CCC=2C=C3CCC(C3=CC2)N2CCC(CC2)C(=O)OC)C=CC1>O.C1CCCO1.[OH-].[Li+]>ClC=1C=C(CCC=2C=C3CCC(C3=CC2)N2CCC(CC2)C(=O)O)C=CC1 | 3 |
[CH3:1][CH:2]1[CH2:7][CH2:6][N:5]([C:8]([C:10]2[CH:18]=[CH:17][C:16]3[NH:15][C:14]4[CH2:19][CH2:20][N:21]([C:23]([O:25][C:26]([CH3:29])([CH3:28])[CH3:27])=[O:24])[CH2:22][C:13]=4[C:12]=3[CH:11]=2)=[O:9])[CH2:4][CH2:3]1.Cl[CH2:31][C:32]1[CH:37]=[CH:36][CH:35]=[CH:34][N:33]=1>>[CH3:1][CH:2]1[CH2:7][CH2:6][N:5]([C:8]([C:10]2[CH:18]=[CH:17][C:16]3[N:15]([CH2:31][C:32]4[CH:37]=[CH:36][CH:35]=[CH:34][N:33]=4)[C:14]4[CH2:19][CH2:20][N:21]([C:23]([O:25][C:26]([CH3:28])([CH3:27])[CH3:29])=[O:24])[CH2:22][C:13]=4[C:12]=3[CH:11]=2)=[O:9])[CH2:4][CH2:3]1 | 2 |
COCC1=CC2=C(N=C(N=C2)SC)C(O1)=O>CO[H].ClCCl.B(Br)(Br)Br>OCC1=CC2=C(N=C(N=C2)SC)C(O1)=O | 3 |
[N:1]1([C:7]([N:9]2[CH2:14][CH:13]([C:15]3[CH:20]=[CH:19][C:18]([C:21]([F:24])([F:23])[F:22])=[CH:17][CH:16]=3)[CH2:12][CH:11]([CH2:25][S:26][C:27]3[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=3)[CH2:10]2)=[O:8])[CH2:6][CH2:5][O:4][CH2:3][CH2:2]1.ClC1C=C(C=CC=1)C(OO)=[O:38]>ClCCl>[N:1]1([C:7]([N:9]2[CH2:14][CH:13]([C:15]3[CH:16]=[CH:17][C:18]([C:21]([F:22])([F:23])[F:24])=[CH:19][CH:20]=3)[CH2:12][CH:11]([CH2:25][S:26]([C:27]3[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=3)=[O:38])[CH2:10]2)=[O:8])[CH2:6][CH2:5][O:4][CH2:3][CH2:2]1 | 2 |
B.O1[CH2:6][CH2:5][CH2:4]C1.[N:7]1[CH:12]=[CH:11]C=[CH:9][CH:8]=1.B.B.[CH3:15]SC.S(C)C.[B]>N1C=CC=CC=1.C1COCC1>[CH3:11][CH2:12][N:7]([CH:8]([CH3:9])[CH3:15])[CH:5]([CH3:6])[CH3:4] | 1 |
[C@@H:1]12[CH2:6][C@@H:5]1[CH2:4][NH:3][C@@H:2]2[CH2:7][NH:8][C:9]([C:11]1[N:18]2[C:14]([S:15][CH:16]=[CH:17]2)=[N:13][C:12]=1[CH3:19])=[O:10].[CH3:20][C:21]1[S:22][C:23]([C:29]2[CH:34]=[CH:33][C:32]([CH3:35])=[CH:31][CH:30]=2)=[C:24]([C:26](O)=[O:27])[N:25]=1>>[CH3:20][C:21]1[S:22][C:23]([C:29]2[CH:34]=[CH:33][C:32]([CH3:35])=[CH:31][CH:30]=2)=[C:24]([C:26]([N:3]2[CH2:4][C@@H:5]3[C@@H:1]([CH2:6]3)[C@H:2]2[CH2:7][NH:8][C:9]([C:11]2[N:18]3[C:14]([S:15][CH:16]=[CH:17]3)=[N:13][C:12]=2[CH3:19])=[O:10])=[O:27])[N:25]=1 | 2 |
C(O)(=O)/C=C\C(O)=O.[C:9]([OH:24])(=O)[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][C:20](O)=O.OCCCCCCCCCCCC(O)=O>>[C:9]1(=[O:24])[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]1 | 2 |
ClC(C(=O)C)Cl.FC(F)(F)SC1=CC=C(C=C1)C=CC(=O)N>C1(=CC=CC=C1)C>ClCC=1N=C(OC1)C=CC1=CC=C(C=C1)SC(F)(F)F | 3 |
OC(COC1=CC=C(C=C2C(NC(S2)=O)=O)C=C1)C1=CC(=CC=C1)OC>>OC(COC1=CC=C(CC2C(NC(S2)=O)=O)C=C1)C1=CC(=CC=C1)OC | 5 |
Cl.Cl[C:3]1[CH:8]=[CH:7][N:6]=[CH:5][CH:4]=1.[F:9][C:10]1[CH:15]=[C:14]([N+:16]([O-:18])=[O:17])[CH:13]=[CH:12][C:11]=1[OH:19].C(=O)([O-])[O-].[K+].[K+]>C1(OC2C=CC=CC=2)C=CC=CC=1.CCOCC>[F:9][C:10]1[CH:15]=[C:14]([N+:16]([O-:18])=[O:17])[CH:13]=[CH:12][C:11]=1[O:19][C:3]1[CH:8]=[CH:7][N:6]=[CH:5][CH:4]=1 | 2 |
C(=O)([O-])[O-].[K+].[K+].[P:7](Cl)([O:11][CH3:12])([O:9][CH3:10])=[S:8].[C:14]([C:16]1[S:17][C:18]([CH3:22])=[CH:19][C:20]=1[OH:21])#[N:15]>CC(C)=O>[C:14]([C:16]1[S:17][C:18]([CH3:22])=[CH:19][C:20]=1[O:21][P:7]([O:11][CH3:12])([O:9][CH3:10])=[S:8])#[N:15] | 1 |
[H-].[Na+].[NH2:3][C:4]1[N:9]=[C:8]([N:10]([CH3:17])[C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)[N:7]=[C:6]([C:18]2[N:22]=[C:21]([N:23]3[CH2:26][CH:25]([OH:27])[CH2:24]3)[O:20][N:19]=2)[N:5]=1.CS(O[CH:33]([CH3:35])[CH3:34])(=O)=O>CN(C=O)C.CCOC(C)=O>[CH:33]([O:27][CH:25]1[CH2:24][N:23]([C:21]2[O:20][N:19]=[C:18]([C:6]3[N:7]=[C:8]([N:10]([CH3:17])[C:11]4[CH:12]=[CH:13][CH:14]=[CH:15][CH:16]=4)[N:9]=[C:4]([NH2:3])[N:5]=3)[N:22]=2)[CH2:26]1)([CH3:35])[CH3:34] | 1 |
C(C1=CC=CC=C1)O[C@@H]1[C@@]2(CO[C@]([C@@H]([C@H]1OCC1=CC=CC=C1)OCC1=CC=CC=C1)(O2)C2=CC(=C(C=C2)Cl)CC2=CC=C(C=C2)OCC(F)(F)F)CO>>C(C1=CC=CC=C1)O[C@@H]1[C@@]2(CO[C@]([C@@H]([C@H]1OCC1=CC=CC=C1)OCC1=CC=CC=C1)(O2)C2=CC(=C(C=C2)Cl)CC2=CC=C(C=C2)OCC(F)(F)F)C(=O)O | 5 |
C(C1=CC=CC=C1)Br.OC1=NNC2=CC=CC=C12>>C(C1=CC=CC=C1)N1N=C(C2=CC=CC=C12)O | 5 |
[Cl:1][C:2]1[CH:3]=[C:4]([C:9]2[CH:14]=[C:13]([CH3:15])[N:12]=[C:11]([N:16]3[CH:20]=[C:19](I)[N:18]=[CH:17]3)[N:10]=2)[CH:5]=[CH:6][C:7]=1[Cl:8].[C:22]([NH:26][S:27]([C:30]1[CH:31]=[C:32](B(O)O)[CH:33]=[CH:34][CH:35]=1)(=[O:29])=[O:28])([CH3:25])([CH3:24])[CH3:23]>>[C:22]([NH:26][S:27]([C:30]1[CH:31]=[CH:32][CH:33]=[C:34]([C:19]2[N:18]=[CH:17][N:16]([C:11]3[N:12]=[C:13]([CH3:15])[CH:14]=[C:9]([C:4]4[CH:5]=[CH:6][C:7]([Cl:8])=[C:2]([Cl:1])[CH:3]=4)[N:10]=3)[CH:20]=2)[CH:35]=1)(=[O:29])=[O:28])([CH3:25])([CH3:23])[CH3:24] | 1 |
C(C)C(/C=C/C1=C(C=C(C=C1)C(CC)(C1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C)CC)C)(CC)O.COC(CC1=CC(=C(C=C1)OC)Br)=O>C1(=CC=CC=C1)C.O.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].COC1=C(C(=CC=C1)OC)C1=C(C=CC=C1)P(C1CCCCC1)C1CCCCC1>COC(CC=1C=C(C(=CC1)OC)C1=CC=C(C=C1)C(CC)(C1=CC(=C(C=C1)\C=C\C(CC)(O)CC)C)CC)=O | 3 |
N1(CCCCC1)C=1C=C(C=CC1)C=1NC(C(C(=O)O)=CC1)=O>ClS(Cl)=O>Cl.N1(CCCCC1)C=1C=C(C=CC1)C=1NC(C(CCl)=CC1)=O | 3 |
ClC1=NSC(=N1)Cl.C(\C=C\C)C=1C(=C(C=C(C1)C1=C(C=CC=C1)C1=NN=NN1)N)OCCC>N(C)(C)C=O.C(=O)(C(F)(F)F)O>FC(C(=O)O)(F)F.C(\C=C\C)C=1C(=C(C=C(C1)C1=C(C=CC=C1)C1=NN=NN1)NC1=NC(=NS1)Cl)OCCC | 3 |
C1(CC1)CN1C(=NC2=C1C=CC(=C2)S(=O)(=O)CC(C)(O)C)CC(C)(C)C>S(O)(O)(=O)=O.C[Si](C)(C)C#N>C1(CC1)CN1C(=NC2=C1C=CC(=C2)S(=O)(=O)CC(C)(C)NC=O)CC(C)(C)C | 3 |
ClC1=CC=C(C=C1)[C@@H](CN(C(OC(C)(C)C)=O)CC1CC1)C(=O)N1CCN(CC1)C=1C2=C(N=CN1)[C@@H](C[C@H]2C)F>>Cl.Cl.ClC1=CC=C(C=C1)[C@H](C(=O)N1CCN(CC1)C=1C2=C(N=CN1)[C@@H](C[C@H]2C)F)CNCC2CC2 | 5 |
ClC1=CC=NC=C1.CON(C(C1=CC=CC=C1)=O)C>C1CCCO1.C(C)(C)[N-]C(C)C.[Li+]>C1(=CC=CC=C1)C1=NNC2=C1C=NC=C2 | 3 |
FC1=CC=C(CBr)C=C1.OC1=CC=C(C=C1)CC(=O)NC1=CC=C2C=NN(C2=C1)CCN1CCCC1>>FC1=CC=C(COC2=CC=C(C=C2)CC(=O)NC2=CC=C3C=NN(C3=C2)CCN2CCCC2)C=C1 | 5 |
[CH:1](=O)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[N:9]1[CH:14]=[CH:13][C:12]([CH2:15]CN)=[CH:11][CH:10]=1.[SH:18][CH:19]([CH2:23][C:24]([OH:26])=[O:25])[C:20](O)=[O:21].C[N:28](C=O)C>O>[O:21]=[C:20]1[CH:19]([CH2:23][C:24]([OH:26])=[O:25])[S:18][CH:1]([C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=2)[N:28]1[CH2:15][C:12]1[CH:11]=[CH:10][N:9]=[CH:14][CH:13]=1 | 1 |
C1(C=2C(C(N1)=O)=CC=CC2)=O.O[C@@H]1CC2CCC1C2>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OCC)C(=O)OCC>[C@H]12[C@H](C[C@H](CC1)C2)N2C(C1=CC=CC=C1C2=O)=O | 3 |
[CH3:1][C:2]1[C:3]([CH:16]2[CH2:21][C:20](=[O:22])[C:19]([C:23](=O)[CH2:24][CH3:25])=[C:18]([OH:27])[CH2:17]2)=[C:4]2[C:9](=[C:10]([CH3:14])[C:11]=1[O:12][CH3:13])[C:8](=[O:15])[CH2:7][CH2:6][CH2:5]2.Cl.[CH2:29]([O:31][NH2:32])[CH3:30].C([O-])(=O)C.[Na+].Cl>>[CH3:1][C:2]1[C:3]([CH:16]2[CH2:21][C:20](=[O:22])[C:19]([C:23](=[N:32][O:31][CH2:29][CH3:30])[CH2:24][CH3:25])=[C:18]([OH:27])[CH2:17]2)=[C:4]2[C:9](=[C:10]([CH3:14])[C:11]=1[O:12][CH3:13])[C:8](=[O:15])[CH2:7][CH2:6][CH2:5]2 | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.Cl.N1CCC(CC1)(O)O>>C(C)(C)(C)OC(=O)C1CC(NCC1)=O | 5 |
ClC1=CC=C(C=C1)C(C)O>C1(=CC=CC=C1)C.O.[OH-].[K+].[O]>ClC1=CC=C(C=C1)C(C)=O | 3 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2[CH:14]=[CH:13][C:12](C(O)=O)=[CH:11][CH:10]=2)=[CH:5][CH:4]=1.C([N:20]([CH2:23]C)CC)C.C1(P(N=[N+]=[N-])(C2C=CC=CC=2)=[O:32])C=CC=CC=1.[C:42]([OH:46])([CH3:45])([CH3:44])[CH3:43]>>[CH3:1][O:2][C:3]1[CH:4]=[CH:5][C:6]([C:9]2[CH:10]=[CH:11][C:12]([NH:20][C:23]([O:46][C:42]([CH3:45])([CH3:44])[CH3:43])=[O:32])=[CH:13][CH:14]=2)=[CH:7][CH:8]=1 | 1 |
N(=O)N(C(=O)N)C.CN1C2=C(\C=C/CC1=O)N=CC=N2>O.C1CCCO1.C(C)OCC.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.[OH-].[K+]>CN1C2=C(C3C(CC1=O)C3)N=CC=N2 | 3 |
[N+](=O)([O-])C=1C=CC(=NC1)Cl.C(C)[S-].[Na+]>O.C1CCCO1>C(C)SC1=NC=C(C=C1)[N+](=O)[O-] | 3 |
C(CCC)S(=O)(=O)Cl.C1(=C(C(=CC(=C1)C)C)C=1C(=NN2C1N=C(C1=C2NCC1)C)C)C>ClCCl.CCN(CC)CC>C(CCC)S(=O)(=O)N1CCC=2C(=NC=3N(C21)N=C(C3C3=C(C=C(C=C3C)C)C)C)C | 3 |
[Br-].C[Mg+].COC=1C=C(C=CC1N1C=NC(=C1)OC)NC1=NC(=CC(=N1)C(C)=O)COCC(F)(F)F>C1CCCO1.O1CCOCC1>COC=1C=C(C=CC1N1C=NC(=C1)OC)NC1=NC(=CC(=N1)C(C)(C)O)COCC(F)(F)F | 3 |
ClC1=NC=NC(=C1)OCC#CCC.FC(C1CNCCC1)(F)F>>C(C#CCC)OC1=CC(=NC=N1)N1CC(CCC1)C(F)(F)F | 3 |
ClCCN=C=O.NC[C@H](OC1=C2C(=NC=NC2=CC=C1)NC1=CC(=C(C=C1)OC=1C=NC(=CC1)C)C)C>>ClCCNC(=O)NC[C@@H](C)OC1=C2C(=NC=NC2=CC=C1)NC1=CC(=C(C=C1)OC=1C=NC(=CC1)C)C | 5 |
ClC(O[C:5]1[C:13]2[NH:12][C:11]([OH:14])=[N:10][C:9]=2[CH:8]=[CH:7][CH:6]=1)=O.[NH2:15][C:16]1[CH:17]=[C:18]([CH2:22][C:23]([OH:25])=[O:24])[CH:19]=[CH:20][CH:21]=1.C1C[O:29][CH2:28]C1>>[C:23]([CH2:22][C:18]1[CH:17]=[C:16]([NH:15][C:28]([N:10]2[C:9]3[CH:8]=[CH:7][CH:6]=[CH:5][C:13]=3[NH:12][C:11]2=[O:14])=[O:29])[CH:21]=[CH:20][CH:19]=1)([OH:25])=[O:24] | 2 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][C:9](Cl)=[O:10])=[CH:4][CH:3]=1.[S-:12][C:13]#[N:14].[K+].[NH2:16][C:17]1[CH:37]=[CH:36][C:20]([O:21][C:22]2[CH:27]=[C:26]([NH:28][C:29]([N:31]3[CH2:35][CH2:34][CH2:33][CH2:32]3)=[O:30])[N:25]=[CH:24][N:23]=2)=[C:19]([F:38])[CH:18]=1.CCCCCC>C(#N)C.C(OCC)C>[F:38][C:19]1[CH:18]=[C:17]([NH:16][C:13]([NH:14][C:9](=[O:10])[CH2:8][C:5]2[CH:6]=[CH:7][C:2]([F:1])=[CH:3][CH:4]=2)=[S:12])[CH:37]=[CH:36][C:20]=1[O:21][C:22]1[N:23]=[CH:24][N:25]=[C:26]([NH:28][C:29]([N:31]2[CH2:35][CH2:34][CH2:33][CH2:32]2)=[O:30])[CH:27]=1 | 1 |
C(C=C)N1C(=O)N(C(=O)C(=C1N)N=O)CC=C>O.C(C)(=O)OCC.S(=O)([O-])S(=O)[O-].[Na+].[Na+]>C(C=C)N1C(=O)N(C(=O)C(=C1N)N)CC=C | 3 |
BrC1=C(C=O)C=CC(=C1)F.O1C(OCC1)C=1C=C(C=CC1)O>>BrC1=C(C=O)C=CC(=C1)OC1=CC(=CC=C1)C1OCCO1 | 5 |
[CH3:1][C:2]1[CH:3]=[CH:4][C:5]2[C:6]3[C:10]=1[N:9]([CH2:11][C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1)[C:8](=S)[C:7]=3[CH:19]=[CH:20][CH:21]=2.[N:22]1([CH2:27][CH2:28][CH2:29][NH2:30])[CH:26]=[CH:25][N:24]=[CH:23]1.C(O)C>CN(C)C=O>[CH3:1][C:2]1[CH:3]=[CH:4][C:5]2[C:6]3[C:10]=1[N:9]([CH2:11][C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1)[C:8](=[N:30][CH2:29][CH2:28][CH2:27][N:22]1[CH:26]=[CH:25][N:24]=[CH:23]1)[C:7]=3[CH:19]=[CH:20][CH:21]=2 | 1 |
COC(C(=O)OC)C1=CC(=CC=C1)N1CC(C1)OC>O.CO[H].O[Li].O>COC(C(=O)O)C1=CC(=CC=C1)N1CC(C1)OC | 3 |
CC(C(C)C)(C1=CC=C(C=C1)OCC1=NC=CC=C1)C1=CC=C(C(=O)N[C@@H](C(=O)OC)CO)C=C1>>CC(C(C)C)(C1=CC=C(C=C1)OCC1=NC=CC=C1)C1=CC=C(C=C1)C=1OC[C@@H](N1)C(=O)OC | 5 |
NC(=O)C=1C(=C(OCC=CC(=O)OC)C=CC1F)F>>NC(=O)C=1C(=C(OCC=CC(=O)O)C=CC1F)F | 5 |
FC1=CC=C(C=C1)CCBr.NC1=NC=C(C=N1)C(=O)NC1=NC=2C(=C(C=CC2C=2N1CCN2)OC[C@](CN2C[C@H](O[C@H](C2)C)C)(C)O)O>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>NC1=NC=C(C=N1)C(=O)NC1=NC=2C(=C(C=CC2C=2N1CCN2)OC[C@](CN2C[C@H](O[C@H](C2)C)C)(C)O)OCCC2=CC=C(C=C2)F | 3 |
[CH3:1][O:2][C:3]([C:5]1[NH:6][N:7]=[C:8]([N+:10]([O-:12])=[O:11])[CH:9]=1)=[O:4].I[CH2:14][CH3:15].C(=O)([O-])[O-].[K+].[K+].O>CN(C)C=O>[CH3:1][O:2][C:3]([C:5]1[N:6]([CH2:14][CH3:15])[N:7]=[C:8]([N+:10]([O-:12])=[O:11])[CH:9]=1)=[O:4] | 1 |
N=1C=NN2C1C=C(C=C2)OC2=C(C=C(C=C2)NC=2C1=C(N=CN2)C=CC(=N1)Cl)C.FC(C(=O)O)(F)F.CN(C\C=C/1\C(NC2CC12)=O)C>[Pd+2].[O-]C(=O)C.[O-]C(=O)C.O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].P(c2ccccc2c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C3CCCCC3)C4CCCCC4>CN(C\C=C/1\C(N(C2CC12)C=1C=CC=2N=CN=C(C2N1)NC1=CC(=C(C=C1)OC1=CC=2N(C=C1)N=CN2)C)=O)C | 3 |
Cl[C:2]1[S:3][C:4]2[CH:10]=[C:9]([F:11])[CH:8]=[CH:7][C:5]=2[N:6]=1.[Br:12][C:13]1[CH:19]=[CH:18][C:16]([NH2:17])=[CH:15][CH:14]=1.Cl.O1CCOCC1>C(O)CCC>[Br:12][C:13]1[CH:19]=[CH:18][C:16]([NH:17][C:2]2[S:3][C:4]3[CH:10]=[C:9]([F:11])[CH:8]=[CH:7][C:5]=3[N:6]=2)=[CH:15][CH:14]=1 | 1 |
[Br:1][C:2]1[C:3]([NH:17][NH2:18])=[N:4][C:5]([NH:8][C:9]2[CH:14]=[CH:13][C:12](F)=[C:11](Cl)[CH:10]=2)=[N:6][CH:7]=1.[F:19][CH:20]([F:27])[C:21](=O)[CH2:22][C:23](=O)[CH3:24].[C:28]([OH:31])(=O)C.[CH2:32]([OH:36])CCC>>[Br:1][C:2]1[C:3]([N:17]2[C:21]([CH:20]([F:27])[F:19])=[CH:22][C:23]([CH3:24])=[N:18]2)=[N:4][C:5]([NH:8][C:9]2[CH:14]=[C:13]([O:36][CH3:32])[CH:12]=[C:11]([O:31][CH3:28])[CH:10]=2)=[N:6][CH:7]=1 | 2 |
O1CC(CC1)CN.FC(C=1C=C(OCC2=CC(=NO2)C(=O)O)C=CC1)(F)F>C(Cl)(Cl)(Cl)[H].CCN(CC)CC.Cl.C(C)N=C=NCCCN(C)C.OC1=CC=CC=2NN=NC21>O1CC(CC1)CNC(=O)C1=NOC(=C1)COC1=CC(=CC=C1)C(F)(F)F | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]2[C:9](=[C:10]([Cl:12])[CH:11]=1)[CH2:8][N:7]([CH3:13])[CH2:6][CH:5]2[C:14]1[CH:15]=[C:16]([NH:20]C(=O)C)[CH:17]=[CH:18][CH:19]=1.CS(C1C=CC(CNC)=CC=1)(=O)=O.C([O-])C.[Na+]>>[Cl:1][C:2]1[CH:3]=[C:4]2[C:9](=[C:10]([Cl:12])[CH:11]=1)[CH2:8][N:7]([CH3:13])[CH2:6][CH:5]2[C:14]1[CH:15]=[C:16]([NH2:20])[CH:17]=[CH:18][CH:19]=1 | 1 |
[NH2:1][C:2]1[CH:25]=[C:24]([C:26]([F:29])([F:28])[F:27])[CH:23]=[CH:22][C:3]=1[O:4][C:5]1[CH:13]=[CH:12][C:11]([C:14]([CH3:21])([CH3:20])[CH2:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[CH:10][C:6]=1[C:7]([OH:9])=[O:8].[F:30][C:31]([F:46])([F:45])[C:32]1[CH:33]=[C:34]([N:42]=[C:43]=[O:44])[CH:35]=[C:36]([C:38]([F:41])([F:40])[F:39])[CH:37]=1>N1C=CC=CC=1>[F:30][C:31]([F:45])([F:46])[C:32]1[CH:33]=[C:34]([NH:42][C:43](=[O:44])[NH:1][C:2]2[CH:25]=[C:24]([C:26]([F:27])([F:28])[F:29])[CH:23]=[CH:22][C:3]=2[O:4][C:5]2[CH:13]=[CH:12][C:11]([C:14]([CH3:21])([CH3:20])[CH2:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[CH:10][C:6]=2[C:7]([OH:9])=[O:8])[CH:35]=[C:36]([C:38]([F:41])([F:39])[F:40])[CH:37]=1 | 1 |
Cl.COC(CN)=O.FC1=C(C(=O)O)C=C(C=C1)S(N)(=O)=O>N(C)(C)C=O.ClCCl.CN1CCOCC1.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>FC1=C(C(=O)NCC(=O)OC)C=C(C=C1)S(N)(=O)=O | 3 |
CS(=O)(=O)Cl.OCCN(C(OC(C)(C)C)=O)CC1=CC=NN1>>CS(=O)(=O)OCCN(CC1=CC=NN1)C(=O)OC(C)(C)C | 5 |
CC1(CCC(C2=CC(=CC=C12)/C=C/C1=CC=C(C(=O)OC)C=C1)(C)C)C>O.[OH-].[K+]>CC1(CCC(C2=CC(=CC=C12)/C=C/C1=CC=C(C(=O)O)C=C1)(C)C)C | 3 |
[OH-].[K+].[F:3][C:4]1[C:14]([O:15][CH3:16])=[C:13]([N:17]2[CH2:23][C@@H:22]([NH:24][C@H:25]([C:27]3[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=3)[CH3:26])[C:19]3([CH2:21][CH2:20]3)[CH2:18]2)[C:12]([F:33])=[CH:11][C:5]=1[C:6]([O:8]CC)=[O:7].Cl>C(O)C>[F:3][C:4]1[C:14]([O:15][CH3:16])=[C:13]([N:17]2[CH2:23][C@@H:22]([NH:24][C@H:25]([C:27]3[CH:28]=[CH:29][CH:30]=[CH:31][CH:32]=3)[CH3:26])[C:19]3([CH2:20][CH2:21]3)[CH2:18]2)[C:12]([F:33])=[CH:11][C:5]=1[C:6]([OH:8])=[O:7] | 2 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([NH:8][NH:9][C:10]([C:12]2[S:13][CH:14]=[CH:15][CH:16]=2)=[O:11])=[CH:4][CH:3]=1.[O:17]1CCC[CH2:18]1.C(Cl)(Cl)=O.C(OCC)(=O)C>ClCCl>[F:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[N:9]=[C:10]([C:12]3[S:13][CH:14]=[CH:15][CH:16]=3)[O:11][C:18]2=[O:17])=[CH:4][CH:3]=1 | 1 |
[CH2:1]([O:8][C:9]([N:11]1[CH2:16][CH2:15][CH:14]([N:17]2[CH2:22][CH2:21][CH2:20][CH2:19][C:18]2=O)[CH2:13][CH2:12]1)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.COC1C=CC(P2(SP(C3C=CC(OC)=CC=3)(=S)S2)=[S:33])=CC=1>O1CCCC1>[CH2:1]([O:8][C:9]([N:11]1[CH2:16][CH2:15][CH:14]([N:17]2[CH2:22][CH2:21][CH2:20][CH2:19][C:18]2=[S:33])[CH2:13][CH2:12]1)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
Br[C:2]1[CH:3]=[CH:4][C:5]2[C:6]3[N:14]([CH2:15][CH2:16][CH2:17][C:18](=[O:20])[CH3:19])[C:13]([CH2:21][CH2:22][CH3:23])=[N:12][C:7]=3[CH:8]=[N:9][C:10]=2[CH:11]=1.[C:24]1(B(O)O)[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C(=O)([O-])[O-].[Na+].[Na+]>C(O)CC.C([O-])(=O)C.[Pd+2].C([O-])(=O)C>[C:24]1([C:2]2[CH:3]=[CH:4][C:5]3[C:6]4[N:14]([CH2:15][CH2:16][CH2:17][C:18](=[O:20])[CH3:19])[C:13]([CH2:21][CH2:22][CH3:23])=[N:12][C:7]=4[CH:8]=[N:9][C:10]=3[CH:11]=2)[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1 | 1 |
Cl.C(C)N.ClC=1C=C(C=C(C1)Cl)N1N=C(C2=C1C=1C=C(C(=CC1OC2)OC)C2=NN(C=C2)C)C(=O)O>>ClC=1C=C(C=C(C1)Cl)N1N=C(C2=C1C=1C=C(C(=CC1OC2)OC)C2=NN(C=C2)C)C(=O)NCC | 5 |
BrC=1C=CC(=NC1)C(C#N)(CCCCl)C1=CC(=CC=C1)OC>>BrC=1C=CC(=NC1)C1(CNCCC1)C1=CC(=CC=C1)OC | 5 |
Cl.NCC1=CC(=C(C=C1)NS(=O)(=O)C)F.ClC1=CC(=C(C=N1)C=CC(=O)O)C(F)(F)F>>ClC1=CC(=C(C=N1)C=CC(=O)NCC1=CC=C(C(=C1)F)NS(=O)(=O)C)C(F)(F)F | 3 |
[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OCC=1C=C(C=CC1)C(C1C(OC(OC1=O)(C)C)=O)C1CC1>>[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OCC=1C=C(C=CC1)C(CC(=O)OCC)C1CC1 | 5 |
OC=1C=C2CCC(CC2=CC1)NCCC(=O)OCC>C1CCCO1.C(C)OCC.Cl.[Cl-].[NH4+].C(C)(C)(C)[Mg]Cl>OC=1C=C2CCC(CC2=CC1)N1C(CC1)=O | 3 |
C1(C=CCC1)=O>O.C1CCCO1.c1cnc[nH]1>OCC=1C(CCC1)=O | 3 |
BrCOC.FC1=C(C=C(C=C1)C1=CNC2=C1C(N(C=C2)CC(=O)N2CC(CC2)F)=O)C(F)(F)F>N(C)(C)C=O.O.[H-].[Na+]>FC1=C(C=C(C=C1)C1=CN(C2=C1C(N(C=C2)CC(=O)N2CC(CC2)F)=O)COC)C(F)(F)F | 3 |
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