smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[C:1]([O:5][C:6](=[O:17])[NH:7][C:8]1[CH:13]=[CH:12][C:11]([F:14])=[C:10]([CH2:15][OH:16])[CH:9]=1)([CH3:4])([CH3:3])[CH3:2].[H-].[Na+].Cl[C:21]1[CH:26]=[N:25][CH:24]=[CH:23][N:22]=1>CN(C=O)C>[C:1]([O:5][C:6](=[O:17])[NH:7][C:8]1[CH:13]=[CH:12][C:11]([F:14])=[C:10]([CH2:15][O:16][C:21]2[CH:26]=[N:25][CH:24]=[CH:23][N:22]=2)[CH:9]=1)([CH3:4])([CH3:2])[CH3:3] | 2 |
C(C1=CC=CC=C1)N1C[C@@H]2[C@H](C1)[C@H](CC2)NC(C(C2=CC=C(C=C2)F)C2=CC=C(C=C2)F)=O>CCO[H].O.O.[Pd].[HH]>FC1=CC=C(C=C1)C(C(=O)N[C@H]1CC[C@@H]2CNC[C@@H]21)C2=CC=C(C=C2)F | 3 |
Cl.[NH:2]([C:4](=[S:6])[NH2:5])[NH2:3].[F:7][C:8]1[CH:17]=[C:16]2[C:11]([CH:12]=[CH:13][CH:14]=[N:15]2)=[CH:10][C:9]=1[CH2:18][C:19]1[N:23]2[N:24]=[C:25]([C:28](=O)[CH3:29])[CH:26]=[CH:27][C:22]2=[N:21][CH:20]=1>>[F:7][C:8]1[CH:17]=[C:16]2[C:11]([CH:12]=[CH:13][CH:14]=[N:15]2)=[CH:10][C:9]=1[CH2:18][C:19]1[N:23]2[N:24]=[C:25](/[C:28](=[N:3]/[NH:2][C:4](=[S:6])[NH2:5])/[CH3:29])[CH:26]=[CH:27][C:22]2=[N:21][CH:20]=1 | 1 |
CC(OC([NH:8][C@@H:9]([CH2:14][C:15]#[C:16][C:17]1[CH:22]=[CH:21][C:20]([O:23][CH2:24][C:25]2[CH:30]=[CH:29][CH:28]=[CH:27][C:26]=2[F:31])=[CH:19][N:18]=1)[C:10]([O:12][CH3:13])=[O:11])=O)(C)C.CO.C(Cl)(C)=O>C(OCC)(=O)C>[NH2:8][C@@H:9]([CH2:14][C:15]#[C:16][C:17]1[CH:22]=[CH:21][C:20]([O:23][CH2:24][C:25]2[CH:30]=[CH:29][CH:28]=[CH:27][C:26]=2[F:31])=[CH:19][N:18]=1)[C:10]([O:12][CH3:13])=[O:11] | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2([OH:33])[CH2:13][CH2:12][N:11]([CH2:14][CH2:15][CH:16]=[C:17]3[C:27]4[C:22](=[N:23][CH:24]=[CH:25][CH:26]=4)[O:21][C:20]4[CH:28]=[CH:29][CH:30]=[C:31](O)[C:19]=4[CH2:18]3)[CH2:10][CH2:9]2)=[CH:4][CH:3]=1.[H-].[Na+].[C:36]1([S:42]([N:45]=[C:46]=[O:47])(=[O:44])=[O:43])[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=1>C1COCC1>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2([OH:33])[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][CH:16]=[C:17]3[C:27]4[C:22](=[N:23][CH:24]=[CH:25][CH:26]=4)[O:21][C:20]4[CH:28]=[CH:29][CH:30]=[C:31]([C:46](=[O:47])[NH:45][S:42]([C:36]5[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=5)(=[O:43])=[O:44])[C:19]=4[CH2:18]3)[CH2:12][CH2:13]2)=[CH:4][CH:3]=1 | 1 |
[N:1]([CH2:4][C:5]1[CH:10]=[CH:9][CH:8]=[C:7]([C:11]([F:14])([F:13])[F:12])[CH:6]=1)=[N+:2]=[N-:3].[Cl:15][C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][C:17]=1[C:22]([C:24]1[C:25]([C:30]#[C:31][C:32]2[CH:37]=[CH:36][N:35]=[CH:34][CH:33]=2)=[N:26][CH:27]=[CH:28][CH:29]=1)=[O:23]>C1(C)C=CC=CC=1>[Cl:15][C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][C:17]=1[C:22]([C:24]1[C:25]([C:30]2[N:3]=[N:2][N:1]([CH2:4][C:5]3[CH:10]=[CH:9][CH:8]=[C:7]([C:11]([F:13])([F:12])[F:14])[CH:6]=3)[C:31]=2[C:32]2[CH:37]=[CH:36][N:35]=[CH:34][CH:33]=2)=[N:26][CH:27]=[CH:28][CH:29]=1)=[O:23] | 1 |
C(C)OC(=O)C1C(CCC(C1)(C1=CC=CC=C1)C#N)=O>>C(#N)C1(CCC(CC1)=O)C1=CC=CC=C1 | 5 |
OC[C@H]1CN(CCN1)C(=O)OC(C)(C)C.COC1=C(C#N)C=CC(=C1)C1OC1>>C(#N)C1=C(C=C(C=C1)C(CN1[C@H](CN(CC1)C(=O)OC(C)(C)C)CO)O)OC | 5 |
C(C)(C)(C)OC(=O)N1C=C(C=2C1=NC=CC2)CCl.CC1(NC(N(CC1)C1=CC=C(C=C1)SC(F)(F)F)=O)C>>CC1(N(C(N(CC1)C1=CC=C(C=C1)SC(F)(F)F)=O)CC1=CNC2=NC=CC=C21)C | 5 |
NC1=NNC(=C1)C.O=C(CC(=O)OCC)CC(=O)OCC>O1CCOCC1.C(C)(=O)O>CC1=NN2C(NC(=CC2=O)CC(=O)OCC)=C1 | 3 |
C1COCCN1.FC1=C(C(=C(C=C1OC)OC)F)N1C(N(C2=C(C1)C=NC1=C2C=C(N1S(=O)(=O)C1=CC=CC=C1)C=O)C)=O>>FC1=C(C(=C(C=C1OC)OC)F)N1C(N(C2=C(C1)C=NC1=C2C=C(N1S(=O)(=O)C1=CC=CC=C1)CN1CCOCC1)C)=O | 5 |
BrC=1C=C(C#N)C=CC1F.C(C(C)C)OC1=CC=C(C=N1)O>C([O-])([O-])=O.[K+].[K+].CS(=O)C>BrC=1C=C(C#N)C=CC1OC=1C=NC(=CC1)OCC(C)C | 3 |
BrC=1C=C(OCCCN2C(COCC2)C)C=CC1>>CC1N(CCOC1)CCCOC1=CC(=CC=C1)B1OC(C(O1)(C)C)(C)C | 5 |
[CH3:1][C:2]1([CH3:21])[CH2:6][C:5]2([CH2:11][CH2:10][C:9](B3OC(C)(C)C(C)(C)O3)=[CH:8][CH2:7]2)[O:4][CH2:3]1.I[C:23]1[C:24]([CH:34]=[O:35])=[N:25][N:26]([CH:28]2[CH2:33][CH2:32][CH2:31][CH2:30][O:29]2)[CH:27]=1.[O-]P([O-])([O-])=O.[K+].[K+].[K+].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>[CH3:21][C:2]1([CH3:1])[CH2:6][C:5]2([CH2:11][CH2:10][C:9]([C:23]3[C:24]([CH:34]=[O:35])=[N:25][N:26]([CH:28]4[CH2:33][CH2:32][CH2:31][CH2:30][O:29]4)[CH:27]=3)=[CH:8][CH2:7]2)[O:4][CH2:3]1 | 2 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.ClC1=C(C=C(N)C=C1)[N+](=O)[O-].ClC1=C(C=C(C=C1)NC(OC(C)(C)C)=O)[N+](=O)[O-]>>ClC1=CC=C(C=C1NC(C)C)N | 5 |
[NH2:1][C:2]1[CH:3]([C:17]([O:19][CH3:20])=[O:18])[N:4](C)[C:5]([C:8]2[CH:13]=[CH:12][CH:11]=[C:10]([CH2:14]Cl)[CH:9]=2)=[CH:6][N:7]=1.C(#N)C.[CH2:24]([NH2:31])[C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1.C(N(C(C)C)CC)(C)C>C1COCC1>[NH2:1][C:2]1[C:3]([C:17]([O:19][CH3:20])=[O:18])=[N:4][C:5]([C:8]2[CH:13]=[CH:12][CH:11]=[C:10]([CH2:14][NH:31][CH2:24][C:25]3[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=3)[CH:9]=2)=[CH:6][N:7]=1 | 1 |
CC=1N=C(SC1)NC1=C(C=C(C=N1)SCCC(=O)OC)OC1=CC=CC=C1>>Cl.Cl.CC=1N=C(SC1)NC1=NC=C(C=C1OC1=CC=CC=C1)SCC1=NC=CC=C1 | 5 |
N1C(CCCC1)C(=O)N>CO[H].C=O.C(#N)[BH3-].[Na+]>CN1C(CCCC1)C(=O)N | 3 |
[C:1]([O-:13])(=[O:12])[CH2:2][C:3]([CH2:8][C:9]([O-:11])=[O:10])([C:5]([O-:7])=[O:6])[OH:4].[Na+:14].[Na+].[Na+].OCl.[Zr:19]>>[C:1]([O-:13])(=[O:12])[CH2:2][C:3]([CH2:8][C:9]([O-:11])=[O:10])([C:5]([O-:7])=[O:6])[OH:4].[Zr+4:19].[Na+:14] | 1 |
[CH3:1][C:2]([C:6]1[CH:11]=[CH:10][C:9]([CH2:12][C:13]2[C:22]3[C:17](=[CH:18][CH:19]=[C:20](B4OC(C)(C)C(C)(C)O4)[CH:21]=3)[N:16]=[CH:15][C:14]=2[N+:32]([O-:34])=[O:33])=[CH:8][CH:7]=1)([CH3:5])[C:3]#[N:4].Br[C:36]1[CH:41]=[CH:40][CH:39]=[CH:38][N:37]=1.C([O-])([O-])=O.[Na+].[Na+].C1(C)C=CC=CC=1>C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.O>[CH3:5][C:2]([C:6]1[CH:11]=[CH:10][C:9]([CH2:12][C:13]2[C:22]3[C:17](=[CH:18][CH:19]=[C:20]([C:36]4[CH:41]=[CH:40][CH:39]=[CH:38][N:37]=4)[CH:21]=3)[N:16]=[CH:15][C:14]=2[N+:32]([O-:34])=[O:33])=[CH:8][CH:7]=1)([CH3:1])[C:3]#[N:4] | 2 |
[NH2:1][C:2]1[C:3]([O:13][CH3:14])=[N:4][C:5]2[C:10]([N:11]=1)=[CH:9][C:8]([F:12])=[CH:7][CH:6]=2.Cl[C:16]([O:18][CH2:19][CH3:20])=[O:17].N1C=CC=CC=1>ClCCl>[F:12][C:8]1[CH:9]=[C:10]2[C:5](=[CH:6][CH:7]=1)[N:4]=[C:3]([O:13][CH3:14])[C:2]([NH:1][C:16](=[O:17])[O:18][CH2:19][CH3:20])=[N:11]2 | 1 |
C1(CC1)C1=CC(=NC=2N1N=CC2)C=2C(=NC(=NC2)OC)OC>CO[H].Cl>C1(CC1)C1=CC(=NC=2N1N=CC2)C=2C(NC(NC2)=O)=O | 3 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[C:12]3[N:13]=[CH:14][N:15]([CH2:18][C:19]4([OH:32])[CH2:24][CH2:23][N:22](C(OC(C)(C)C)=O)[CH2:21][CH2:20]4)[C:16](=[O:17])[C:11]=3[CH:10]=[N:9]2)=[CH:4][CH:3]=1.[F:33][C:34]([F:39])([F:38])[C:35]([OH:37])=[O:36]>ClCCl>[F:33][C:34]([F:39])([F:38])[C:35]([OH:37])=[O:36].[F:1][C:2]1[CH:3]=[CH:4][C:5]([N:8]2[C:12]3[N:13]=[CH:14][N:15]([CH2:18][C:19]4([OH:32])[CH2:24][CH2:23][NH:22][CH2:21][CH2:20]4)[C:16](=[O:17])[C:11]=3[CH:10]=[N:9]2)=[CH:6][CH:7]=1 | 2 |
Cl.Cl.[NH:3]1[CH2:8][CH2:7][CH:6]([N:9]2[CH2:14][CH2:13][C:12]3([O:19][C:18]4[C:20]5[C:25]([C:26](=[O:29])[C:27](=[O:28])[C:17]=4[S:16][CH2:15]3)=[CH:24][CH:23]=[CH:22][CH:21]=5)[CH2:11][CH2:10]2)[CH2:5][CH2:4]1.[C:30]([C:34]1[CH:44]=[CH:43][C:37]([O:38][CH2:39][C@@H:40]2[CH2:42][O:41]2)=[CH:36][CH:35]=1)([CH3:33])([CH3:32])[CH3:31].CCN(C(C)C)C(C)C>>[C:30]([C:34]1[CH:44]=[CH:43][C:37]([O:38][CH2:39][C@@H:40]([OH:41])[CH2:42][N:3]2[CH2:4][CH2:5][CH:6]([N:9]3[CH2:14][CH2:13][C:12]4([O:19][C:18]5[C:20]6[C:25]([C:26](=[O:29])[C:27](=[O:28])[C:17]=5[S:16][CH2:15]4)=[CH:24][CH:23]=[CH:22][CH:21]=6)[CH2:11][CH2:10]3)[CH2:7][CH2:8]2)=[CH:36][CH:35]=1)([CH3:31])([CH3:32])[CH3:33] | 1 |
FC(C1=CC=C(C=O)C=C1)(F)F.NC[C@H]1[C@@H]2CCC([C@]2(CC[C@@H]1[C@@]1([C@H](C[C@H](CC1)O)CO)C)C)=C>>OC[C@H]1C[C@H](CC[C@@]1([C@@H]1[C@H]([C@@H]2CCC([C@]2(CC1)C)=C)CNCC1=CC=C(C=C1)C(F)(F)F)C)O | 5 |
C1(CC1)CNCC=1NC(C2=C(N1)CCOC2)=O.COC1=CC=C(C(=O)C2CCN(CC2)CC(=O)O)C=C1>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>C1(CC1)CN(C(CN1CCC(CC1)C(C1=CC=C(C=C1)OC)=O)=O)CC=1NC(C2=C(N1)CCOC2)=O | 3 |
FC1=CC=C(C=C1)C(CCC1OCC(CO1)(C)C)O>C(C)OCC.ClCCl.C=1C=C[NH+]=CC1.[O-][Cr](=O)(=O)Cl>CC1(COC(OC1)CCC(=O)C1=CC=C(C=C1)F)C | 3 |
C(C)N(CC)CCCN.C(C)C=1C(=C(C(=O)O)C(=CC1)NS(=O)(=O)C1=C(C=CC=C1)F)C>CC#N.CCN(CC)CC>C(C)N(CCCNC1=C(C=CC=C1)S(=O)(=O)NC1=CC=C(C(=C1C(=O)O)C)CC)CC | 3 |
CC=1OC=C(N1)C=O.C(=O)(OC(C)(C)C)N1[C@@H](CNCC1)CO>CO[H].C(C)(=O)O>OC[C@H]1N(CCN(C1)CC=1N=C(OC1)C)C(=O)OC(C)(C)C | 3 |
C1(=CC=C(C=C1)OC)O[H].FC1=CC=C(C=C1)C(C)=O>C([O-])([O-])=O.[K+].[K+].CS(=O)C>COC1=CC=C(OC2=CC=C(C=C2)C(C)=O)C=C1 | 3 |
[CH3:1][C:2]([CH3:19])([CH3:18])[C:3]#[C:4][C:5]1[C:10]([F:11])=[CH:9][CH:8]=[CH:7][C:6]=1[NH:12]C(=O)CCC.CC([O-])(C)C.[K+].O>CN(C=O)C>[C:2]([C:3]1[NH:12][C:6]2[C:5]([CH:4]=1)=[C:10]([F:11])[CH:9]=[CH:8][CH:7]=2)([CH3:19])([CH3:18])[CH3:1] | 1 |
CC1=CC=C(C=C1C1=CC=C(C=C1)[N+](=O)[O-])NC(C1=CC(=CC=C1)C(F)(F)F)=O>O.O1CCOCC1.N.S(=O)([O-])S(=O)[O-].[Na+].[Na+]>NC1=CC=C(C=C1)C1=CC(=CC=C1C)NC(C1=CC(=CC=C1)C(F)(F)F)=O | 3 |
C([O:8][C:9](=[O:47])[CH2:10][CH2:11][NH:12][C:13](=[O:46])[C:14]1[CH:19]=[CH:18][CH:17]=[C:16]([NH:20][C:21](=[O:45])[C@H:22]([CH2:31][CH2:32][CH2:33][NH:34]C(OCC2C=CC=CC=2)=O)[NH:23][C:24]([O:26][C:27]([CH3:30])([CH3:29])[CH3:28])=[O:25])[CH:15]=1)C1C=CC=CC=1.C(O)C>[Pd].C(O)(=O)C>[C:9]([OH:47])(=[O:8])[CH3:10].[C:27]([O:26][C:24]([NH:23][C@H:22]([C:21]([NH:20][C:16]1[CH:15]=[C:14]([CH:19]=[CH:18][CH:17]=1)[C:13]([NH:12][CH2:11][CH2:10][C:9]([OH:47])=[O:8])=[O:46])=[O:45])[CH2:31][CH2:32][CH2:33][NH2:34])=[O:25])([CH3:30])([CH3:28])[CH3:29] | 1 |
Br[CH2:2][C:3]([O:5][CH2:6][CH3:7])=[O:4].Cl.[O:9]1[CH2:13][CH2:12][CH2:11][CH2:10]1>[Zn]>[CH:12]1([C:13](=[O:9])[CH2:2][C:3]([O:5][CH2:6][CH3:7])=[O:4])[CH2:10][CH2:11]1 | 1 |
C(C)(C)(C)OC(=O)N1CCC(CC1)NC(=O)N[C@@H](C(C)C)C(=O)OC>>C(C)(C)C=1NC(N(C1)C1CCNCC1)=O | 5 |
[F:1][C:2]1[CH:3]=[C:4]([CH2:9][CH2:10][O:11][Si:12]([CH:19]([CH3:21])[CH3:20])([CH:16]([CH3:18])[CH3:17])[CH:13]([CH3:15])[CH3:14])[CH:5]=[C:6]([F:8])[CH:7]=1.C([Li])CCC.CN([CH:30]=[O:31])C.[Cl-].[NH4+]>C1COCC1>[F:1][C:2]1[CH:3]=[C:4]([CH2:9][CH2:10][O:11][Si:12]([CH:13]([CH3:15])[CH3:14])([CH:19]([CH3:21])[CH3:20])[CH:16]([CH3:18])[CH3:17])[CH:5]=[C:6]([F:8])[C:7]=1[CH:30]=[O:31] | 2 |
Cl.CNC.FC1=C(C=CC(=C1)[N+](=O)[O-])P(OCC)(=O)C>N(C)(C)C=O.CCN(CC)CC>CN(C1=C(C=CC(=C1)[N+](=O)[O-])P(OCC)(=O)C)C | 3 |
N[C@H](C#N)C[C@H]1C(NCC1)=O.O=C1N2[C@@H](CCC2=CC=C1NCC(OC1=CC=CC=C1)=O)C(=O)O>Cl.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>C(#N)[C@H](C[C@H]1C(NCC1)=O)NC(=O)[C@@H]1CCC2=CC=C(C(N12)=O)NCC(=O)OC1=CC=CC=C1 | 3 |
N1=C2C(=CC=C1)CCOC2>ClCCl.ClC=1C=C(C(=O)OO)C=CC1>[N+]1(=C2C(=CC=C1)CCOC2)[O-] | 3 |
[Mg].Br[CH2:3][CH2:4][CH2:5][C:6]1[CH:11]=[CH:10][C:9]([F:12])=[CH:8][CH:7]=1.[CH2:13]([N:20]1[C:24]([CH:25]=[O:26])=[CH:23][N:22]=[CH:21]1)[C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1.[Cl-].[NH4+]>O1CCCC1>[CH2:13]([N:20]1[C:24]([CH:25]([OH:26])[CH2:3][CH2:4][CH2:5][C:6]2[CH:11]=[CH:10][C:9]([F:12])=[CH:8][CH:7]=2)=[CH:23][N:22]=[CH:21]1)[C:14]1[CH:15]=[CH:16][CH:17]=[CH:18][CH:19]=1 | 1 |
[C:1]12([NH:12][C:13](=[O:17])[CH2:14][CH2:15][Cl:16])[CH2:10][CH:6]([CH2:7][CH2:8][CH2:9]1)[CH:5]1[CH2:11][CH:2]2[CH2:3][CH2:4]1.[NH:18]1[CH2:23][CH2:22][CH2:21][CH2:20][CH2:19]1.C(=O)([O-])O.[Na+].[I-].[K+]>C(OCC)C>[ClH:16].[C:1]12([NH:12][C:13](=[O:17])[CH2:14][CH2:15][N:18]3[CH2:23][CH2:22][CH2:21][CH2:20][CH2:19]3)[CH2:10][CH:6]([CH2:7][CH2:8][CH2:9]1)[CH:5]1[CH2:11][CH:2]2[CH2:3][CH2:4]1 | 1 |
FC(C1=C(C=CC=C1)B(O)O)(F)F.ClC=1C=C(C=2N(N1)C(=C(N2)C)C(=O)OCC)C>O.CCO[H].O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(=O)([O-])[O-].[Cs+].[Cs+]>CC=1N=C2N(N=C(C=C2C)C2=C(C=CC=C2)C(F)(F)F)C1C(=O)OCC | 3 |
OC1CNC1.ClC1=CC(=NC(=N1)S(=O)(=O)C)N1CCOCC1>N(C)(C)C=O.C1CCCO1.C(C)(C)N(C(C)C)CC>ClC1=NC(=NC(=C1)N1CCOCC1)N1CC(C1)O | 3 |
[CH2:1]([N:3]1[C:12]2[CH:11]=[CH:10][C:9]([F:13])=[CH:8][C:7]=2[C:6]2[O:14][C:15](=[O:22])[C:16]([N+:19]([O-:21])=[O:20])=[C:17]([OH:18])[C:5]=2[C:4]1=[O:23])[CH3:2].CC(C)=O.[Na:28]>O>[CH2:1]([N:3]1[C:12]2[CH:11]=[CH:10][C:9]([F:13])=[CH:8][C:7]=2[C:6]2[O:14][C:15](=[O:22])[C:16]([N+:19]([O-:21])=[O:20])=[C:17]([OH:18])[C:5]=2[C:4]1=[O:23])[CH3:2].[Na:28] | 1 |
NC=1C=C(C(=CC1Cl)Br)[C@H]1CC(NC1)=O>S(O)(O)(=O)=O.N(=O)[O-].[Na+]>BrC1=C(C=CC(=C1)Cl)[C@H]1CC(NC1)=O | 3 |
NC=1C(=NON1)C(N(O)C1=CC(=CC=C1)Cl)=N>C1CCCO1.C(=O)(C=1NC=CN1)C=1NC=CN1>NC=1C(=NON1)C1=NOC(N1C1=CC(=CC=C1)Cl)=O | 3 |
BrC=1C=C(C=CC1)N1CCN(CCC1)C(=O)OC(C)(C)C>O.O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C(C)(=O)[O-].[K+].ClCCl.[Pd](Cl)Cl.C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2].C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]>CC1(OB(OC1(C)C)C=1C=C(C=CC1)N1CCN(CCC1)C(=O)OC(C)(C)C)C | 3 |
FC=1C=C(C=NC1)C1=NC=2N(C(=C1)O)N=CC2C(F)(F)F>>ClC1=CC(=NC=2N1N=CC2C(F)(F)F)C=2C=NC=C(C2)F | 5 |
BrC1=CC(=NC=C1)F>O.CCO[H].[OH-].[Na+].O.NN>BrC1=CC(=NC=C1)NN | 3 |
[NH2:1][C:2]1[CH:3]=[C:4]([CH:32]=[C:33]([CH3:36])[C:34]=1[NH2:35])[O:5][C:6]1[N:11]=[CH:10][N:9]=[C:8]([N:12]2[CH2:17][CH2:16][CH:15]([N:18]3[CH2:24][CH2:23][C:22]4[CH:25]=[C:26]([O:29][CH3:30])[CH:27]=[CH:28][C:21]=4[NH:20][C:19]3=[O:31])[CH2:14][CH2:13]2)[CH:7]=1.[F:37][C:38]([F:44])([F:43])[CH2:39][C:40](O)=O.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.[B-](F)(F)(F)F.C(O)(=O)C>CN(C=O)C>[CH3:30][O:29][C:26]1[CH:27]=[CH:28][C:21]2[NH:20][C:19](=[O:31])[N:18]([CH:15]3[CH2:14][CH2:13][N:12]([C:8]4[CH:7]=[C:6]([O:5][C:4]5[CH:32]=[C:33]([CH3:36])[C:34]6[N:35]=[C:40]([CH2:39][C:38]([F:44])([F:43])[F:37])[NH:1][C:2]=6[CH:3]=5)[N:11]=[CH:10][N:9]=4)[CH2:17][CH2:16]3)[CH2:24][CH2:23][C:22]=2[CH:25]=1 | 1 |
[CH2:1]([O:8][C:9]1[C:10]([CH3:26])=[C:11]2[C:16](=[C:17]([CH3:20])[C:18]=1[CH3:19])[O:15][C@@:14]([CH2:22][C:23](O)=[O:24])([CH3:21])[CH2:13][CH2:12]2)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.O.C(Cl)(=O)C([Cl:31])=O>C1(C)C=CC=CC=1>[CH2:1]([O:8][C:9]1[C:10]([CH3:26])=[C:11]2[C:16](=[C:17]([CH3:20])[C:18]=1[CH3:19])[O:15][C@@:14]([CH2:22][C:23]([Cl:31])=[O:24])([CH3:21])[CH2:13][CH2:12]2)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([Cl:8])[C:3]=1[C:9]1[N:10](O)[C:11]2[C:17]3[CH:18]=[CH:19][N:20]=[CH:21][C:16]=3[NH:15][C:14]3[N:22]=[CH:23][CH:24]=[CH:25][C:13]=3[C:12]=2[N:26]=1.P(OCC)(OCC)OCC>CN(C)C=O>[ClH:1].[ClH:1].[Cl:8][C:4]1[CH:5]=[CH:6][CH:7]=[C:2]([Cl:1])[C:3]=1[C:9]1[NH:10][C:11]2[C:17]3[CH:18]=[CH:19][N:20]=[CH:21][C:16]=3[NH:15][C:14]3[N:22]=[CH:23][CH:24]=[CH:25][C:13]=3[C:12]=2[N:26]=1 | 1 |
Cl.NN.COC=1C=C(C=NC1)CCC(=O)OC>CC#N.O1CCOCC1.[H-].[Na+]>COC=1C=C(C=NC1)CCC1=CC(=NN1)N | 3 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2([C:15]([O:17][C:18]3[CH:23]=[CH:22][C:21]([C:24]([NH:26][O:27]CC4C=CC=CC=4)=[O:25])=[CH:20][CH:19]=3)=[O:16])[CH2:14][CH2:13][CH2:12][CH2:11][CH2:10]2)=[CH:5][CH:4]=1>[Pd].CO.C(OCC)C>[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2([C:15]([O:17][C:18]3[CH:19]=[CH:20][C:21]([C:24]([NH:26][OH:27])=[O:25])=[CH:22][CH:23]=3)=[O:16])[CH2:14][CH2:13][CH2:12][CH2:11][CH2:10]2)=[CH:5][CH:4]=1 | 1 |
NC1=NC=CC=N1.C(C)OC(CBr)OCC>CCO[H].Br>N=1C=CN2C1N=CC=C2 | 3 |
BrC1=C2C=NN(C2=CC=C1)C1=C(C=CC=C1)F.C(C1=CC=CC=C1)N1C[C@H]2[C@@H](C1)CNC2=O>[Cu]I.O1CCOCC1.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].CN[C@H]1[C@@H](CCCC1)NC>C(C1=CC=CC=C1)N1C[C@H]2[C@H](C1)CN(C2=O)C2=C1C=NN(C1=CC=C2)C2=C(C=CC=C2)F | 3 |
[F:1][C:2]([F:11])([F:10])[C:3]1[CH:4]=[C:5]([OH:9])[CH:6]=[CH:7][CH:8]=1.Cl[C:13]1[CH:18]=[C:17]([CH3:19])[N:16]=[C:15]([NH:20][C:21]2[CH:26]=[CH:25][C:24]([N:27]3[CH:31]=[C:30]([CH3:32])[N:29]=[CH:28]3)=[C:23]([O:33][CH3:34])[CH:22]=2)[N:14]=1>>[CH3:34][O:33][C:23]1[CH:22]=[C:21]([NH:20][C:15]2[N:16]=[C:17]([CH3:19])[CH:18]=[C:13]([O:9][C:5]3[CH:6]=[CH:7][CH:8]=[C:3]([C:2]([F:10])([F:11])[F:1])[CH:4]=3)[N:14]=2)[CH:26]=[CH:25][C:24]=1[N:27]1[CH:31]=[C:30]([CH3:32])[N:29]=[CH:28]1 | 1 |
COC=1C=C(C=C(C1OC)OC)N1C(C(OCC1)=O)C>c1ccncc1.P12(=S)SP3(=S)SP(=S)(S1)SP(=S)(S2)S3>COC=1C=C(C=C(C1OC)OC)N1C(COCC1)C=S | 3 |
COC=1C=C(C=CC1OC)C1=NC(=NC=C1C(=O)OCC)C(F)(F)F>CCO[H].Cl.[OH-].[Na+]>COC=1C=C(C=CC1OC)C1=NC(=NC=C1C(=O)O)C(F)(F)F | 3 |
[C:1]([C:4]1[CH:5]=[CH:6][C:7]([NH:14][S:15]([CH3:18])(=[O:17])=[O:16])=[C:8]([CH:13]=1)[C:9]([O:11][CH3:12])=[O:10])(=O)[CH3:2].[CH3:19][C:20]([S@:23]([NH2:25])=[O:24])([CH3:22])[CH3:21].[BH4-].[Na+].[CH3:28][C@@H](O)[C@H](N)C(O)=O>[O-]CC.[Ti+4].[O-]CC.[O-]CC.[O-]CC.O1CCCC1>[C:20]([S@:23]([NH:25][C@@H:1]([C:4]1[CH:5]=[CH:6][C:7]([NH:14][S:15]([CH3:18])(=[O:17])=[O:16])=[C:8]([CH:13]=1)[C:9]([O:11][CH2:12][CH3:28])=[O:10])[CH3:2])=[O:24])([CH3:22])([CH3:21])[CH3:19] | 2 |
[NH:1]1[C:9]2[C:4](=[CH:5][C:6]([C:10]([NH2:12])=[O:11])=[CH:7][CH:8]=2)[CH:3]=[CH:2]1.[H-].[Na+].Cl[C:16]1[C:21]([C:22]#[N:23])=[CH:20][N:19]=[C:18]2[S:24][C:25]([C:27]3[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=3)=[CH:26][C:17]=12>CN(C=O)C>[C:22]([C:21]1[C:16]([NH:12][C:10]([C:6]2[CH:5]=[C:4]3[C:9](=[CH:8][CH:7]=2)[NH:1][CH:2]=[CH:3]3)=[O:11])=[C:17]2[CH:26]=[C:25]([C:27]3[CH:28]=[CH:29][CH:30]=[CH:31][CH:32]=3)[S:24][C:18]2=[N:19][CH:20]=1)#[N:23] | 2 |
C(#N)C1=CC2=C(N=CN(C2=O)CCOC2=C(C=C(C=C2)C=O)C2=CC(=CC=C2)C(=O)OC)C=N1>ClCCl.[OH-].[Na+].C(C)N(CC)S(F)(F)F>C(#N)C1=CC2=C(N=CN(C2=O)CCOC2=C(C=C(C=C2)C(F)F)C2=CC(=CC=C2)C(=O)OC)C=N1 | 3 |
C(C)OC(C1=CC=C(CN(C(OC(C)(C)C)=O)C2CCOCC2)C=C1)OCC>>ON=CC1=CC=C(CN(C(OC(C)(C)C)=O)C2CCOCC2)C=C1 | 5 |
FC1=CC=C(C=C1)B(O)O.N(=[N+]=[N-])C(C)C=1N=C2N(C(C1Br)=O)C(=CS2)C>O.O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>N(=[N+]=[N-])C(C)C=1N=C2N(C(C1C1=CC=C(C=C1)F)=O)C(=CS2)C | 3 |
CS(O[CH2:6][C:7]1[O:8][CH:9]=[C:10]([O:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][O:20][C:21]2[C:30]3[C:25](=[CH:26][C:27]([C:31]([F:34])([F:33])[F:32])=[CH:28][CH:29]=3)[N:24]=[CH:23][CH:22]=2)[C:11](=[O:13])[CH:12]=1)(=O)=O.[CH3:35][N:36]1[CH2:41][CH2:40][NH:39][CH2:38][CH2:37]1>ClCCl>[F:34][C:31]([F:33])([F:32])[C:27]1[CH:26]=[C:25]2[C:30]([C:21]([O:20][CH2:19][CH2:18][CH2:17][CH2:16][CH2:15][O:14][C:10]3[C:11](=[O:13])[CH:12]=[C:7]([CH2:6][N:39]4[CH2:40][CH2:41][N:36]([CH3:35])[CH2:37][CH2:38]4)[O:8][CH:9]=3)=[CH:22][CH:23]=[N:24]2)=[CH:29][CH:28]=1 | 1 |
[C:1]([O:9]C)(=O)/[CH:2]=[CH:3]\[C:4]([O:6][CH3:7])=[O:5].[CH2:11]([NH2:14])[CH2:12][NH2:13]>CC(O)C>[O:9]=[C:1]1[NH:14][CH2:11][CH2:12][NH:13][CH:2]1[CH2:3][C:4]([O:6][CH3:7])=[O:5] | 2 |
FC=1C=C(C#N)C=C(C1)OC1=C2CCC(C2=C(C=C1)S)=O>CC#N.Cl.ClN1C(CCC1=O)=O>C(#N)C=1C=C(OC2=CC=C(C=3C(CCC23)=O)S(=O)(=O)Cl)C=C(C1)F | 3 |
C(C)(C)(C)OC(=O)N1C(C2=CC=C(C=C2CC1)OCC)C(=O)O.C(C)OCC(C)(C)C1=C(C=C(N)C=C1F)F>>C(C)OC=1C=C2CCN(C(C2=CC1)C(NC1=CC(=C(C(=C1)F)C(COCC)(C)C)F)=O)C(=O)OC(C)(C)C | 5 |
Cl.[CH2:2]([O:4][NH2:5])[CH3:3].[OH-].[Na+].[OH:8][C:9]1[CH2:14][CH:13]([C:15]2[C:20]([CH3:21])=[CH:19][C:18]([CH3:22])=[CH:17][C:16]=2[CH3:23])[CH2:12][C:11](=[O:24])[C:10]=1[C:25](=O)[CH2:26][CH3:27]>C(O)C>[CH2:2]([O:4][N:5]=[C:25]([C:10]1[C:9](=[O:8])[CH2:14][CH:13]([C:15]2[C:20]([CH3:21])=[CH:19][C:18]([CH3:22])=[CH:17][C:16]=2[CH3:23])[CH2:12][C:11]=1[OH:24])[CH2:26][CH3:27])[CH3:3] | 1 |
BrC=1C(=C(N)C=C(C1F)F)Cl>O.F[B-](F)(F)F.[H+].N(=O)[O-].[Na+]>F[B-](F)(F)F.BrC=1C(=C(C=C(C1F)F)[N+]#N)Cl | 3 |
[OH:1][CH2:2][C:3]([C@H:5]1[N:8]([CH:9]([CH2:19][C:20]2[CH:25]=[CH:24][C:23]([O:26][CH3:27])=[CH:22][CH:21]=2)[CH2:10][C:11]2[CH:16]=[CH:15][C:14]([O:17][CH3:18])=[CH:13][CH:12]=2)[C:7](=[O:28])[C@@H:6]1[C@H:29]([O:31][C:32]([O:34][CH2:35][C:36]1[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=1)=[O:33])[CH3:30])=[CH2:4].[O:42]1[CH:47]=[CH:46][CH2:45][CH2:44][CH2:43]1.C1(C)C=CC(S(O)(=O)=O)=CC=1>ClCCl.C(OCC)(=O)C>[O:42]1[CH2:47][CH2:46][CH2:45][CH2:44][CH:43]1[O:1][CH2:2][C:3]([C@H:5]1[N:8]([CH:9]([CH2:19][C:20]2[CH:25]=[CH:24][C:23]([O:26][CH3:27])=[CH:22][CH:21]=2)[CH2:10][C:11]2[CH:12]=[CH:13][C:14]([O:17][CH3:18])=[CH:15][CH:16]=2)[C:7](=[O:28])[C@@H:6]1[C@H:29]([O:31][C:32]([O:34][CH2:35][C:36]1[CH:37]=[CH:38][CH:39]=[CH:40][CH:41]=1)=[O:33])[CH3:30])=[CH2:4] | 1 |
C(CC(O)(C(=O)O)CC(=O)O)(=O)O.CCOC(=O)C.C(C)(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)C(=O)OC)C(=O)O>>C(C)(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)C(=O)OC)C(=O)N(CC(=O)OC)C | 5 |
C(CO)O.S1C=CC2=C1C=CC(=C2)C(C(=O)OCC)C(=O)OCC>>S1C=CC2=C1C=CC(=C2)CC(=O)O | 5 |
ClC=1C=C(C2=C([C@H](O[C@@H](C=3N2C=CC3)CCC(=O)N3CCC(CC3)CC(=O)OCC)C3=C(C(=CC=C3)OC)OC)C1)F>C([O-])([O-])=O.[K+].[K+]>ClC=1C=C(C2=C([C@H](O[C@@H](C=3N2C=CC3)CCC(=O)N3CCC(CC3)CC(=O)O)C3=C(C(=CC=C3)OC)OC)C1)F | 3 |
C(NC(C)C)(C)C.C([Li])CCC.[CH2:13]([C:16]1[CH:24]=[CH:23][CH:22]=[C:21]2[C:17]=1[CH2:18][CH2:19][C:20]2=[O:25])[CH:14]=[CH2:15].[CH3:26][Si:27](Cl)([CH3:29])[CH3:28]>O1CCCC1.CCOCC.O>[CH3:26][Si:27]([CH3:29])([CH3:28])[O:25][C:20]1[C:21]2[C:17](=[C:16]([CH2:13][CH:14]=[CH2:15])[CH:24]=[CH:23][CH:22]=2)[CH2:18][CH:19]=1 | 1 |
C(C)(C)(C)OC(=O)N(C(C(C(=O)OCC)([2H])[2H])([2H])[2H])CC(=O)OCC>ClCCl.C(=O)(C(F)(F)F)O>C(C)OC(CNC(C(C(=O)OCC)([2H])[2H])([2H])[2H])=O | 3 |
[CH3:1][O-].[Na+].[Cl:4][C:5]1[C:15]([Cl:16])=[C:14]([C:17](=O)[C:18](=[CH2:20])[CH3:19])[CH:13]=[CH:12][C:6]=1[O:7][CH2:8][C:9]([OH:11])=[O:10].[CH2:22]([OH:24])[CH3:23]>C(OCC)(=O)CC(C)=O>[Cl:4][C:5]1[C:15]([Cl:16])=[C:14]([C:17]2[CH:18]([CH3:20])[CH2:19][CH2:1][C:22](=[O:24])[CH:23]=2)[CH:13]=[CH:12][C:6]=1[O:7][CH2:8][C:9]([OH:11])=[O:10] | 1 |
[O:1]=[C:2]1[N:8]([CH:9]2[CH2:14][CH2:13][N:12]([C:15]([O:17][C@H:18]([CH2:37][C:38]3[CH:43]=[C:42]([CH3:44])[C:41]([OH:45])=[C:40]([CH3:46])[CH:39]=3)[C:19]([N:21]3[CH2:26][CH2:25][CH:24]([CH:27]4[CH2:32][CH2:31][N:30]([CH2:33][C:34]([OH:36])=[O:35])[CH2:29][CH2:28]4)[CH2:23][CH2:22]3)=[O:20])=[O:16])[CH2:11][CH2:10]2)[CH2:7][CH2:6][C:5]2[CH:47]=[CH:48][CH:49]=[CH:50][C:4]=2[NH:3]1.O[CH2:52][CH2:53][N:54]1[CH2:59][CH2:58][CH2:57][CH2:56][C:55]1=[O:60]>C(Cl)Cl>[O:1]=[C:2]1[N:8]([CH:9]2[CH2:10][CH2:11][N:12]([C:15]([O:17][C@H:18]([CH2:37][C:38]3[CH:43]=[C:42]([CH3:44])[C:41]([OH:45])=[C:40]([CH3:46])[CH:39]=3)[C:19](=[O:20])[N:21]3[CH2:22][CH2:23][CH:24]([CH:27]4[CH2:32][CH2:31][N:30]([CH2:33][C:34]([O:36][CH2:52][CH2:53][N:54]5[CH2:59][CH2:58][CH2:57][CH2:56][C:55]5=[O:60])=[O:35])[CH2:29][CH2:28]4)[CH2:25][CH2:26]3)=[O:16])[CH2:13][CH2:14]2)[CH2:7][CH2:6][C:5]2[CH:47]=[CH:48][CH:49]=[CH:50][C:4]=2[NH:3]1 | 1 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([C:19]2[N:42](COCC[Si](C)(C)C)[C:22]3[N:23]=[CH:24][N:25]=[C:26]([C:27]4[CH:28]=[CH:29][C:30]([O:35][CH:36]5[CH2:41][CH2:40][O:39][CH2:38][CH2:37]5)=[C:31]([CH:34]=4)[C:32]#[N:33])[C:21]=3[CH:20]=2)[CH:6]=[CH:7][C:8]=1[N:9]1[CH2:14][CH2:13][N:12]([CH:15]2[CH2:18][O:17][CH2:16]2)[CH2:11][CH2:10]1.[C:51]([OH:57])([C:53]([F:56])([F:55])[F:54])=[O:52]>C(Cl)Cl>[CH3:1][O:2][C:3]1[CH:4]=[C:5]([C:19]2[NH:42][C:22]3[N:23]=[CH:24][N:25]=[C:26]([C:27]4[CH:28]=[CH:29][C:30]([O:35][CH:36]5[CH2:37][CH2:38][O:39][CH2:40][CH2:41]5)=[C:31]([CH:34]=4)[C:32]#[N:33])[C:21]=3[CH:20]=2)[CH:6]=[CH:7][C:8]=1[N:9]1[CH2:10][CH2:11][N:12]([CH:15]2[CH2:18][O:17][CH2:16]2)[CH2:13][CH2:14]1.[C:51]([OH:57])([C:53]([F:56])([F:55])[F:54])=[O:52] | 2 |
COC1=C(CN)C=CC(=C1)OC.CC(C(=O)O)(CC(C1=CC=CC=C1)=O)C>ClCCl.CCN(CC)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>COC1=C(CNC(C(CC(C2=CC=CC=C2)=O)(C)C)=O)C=CC(=C1)OC | 3 |
C(C)(C)(C)OC(=O)N[C@@H](C(=O)NCC(C(=O)OC)(C)C)CC1=CC(=C(C=C1)OC)Cl>O.C1CCCO1.[OH-].[Li+]>C(C)(C)(C)OC(=O)N[C@@H](C(=O)NCC(C(=O)O)(C)C)CC1=CC(=C(C=C1)OC)Cl | 3 |
O[C@@H]1C[C@H](NC1)C(=O)O>CO[H].ClS(Cl)=O>COC(=O)[C@H]1NC[C@@H](C1)O | 3 |
[C:1]1([C:7]2[O:16][C:10]3[N:11]=[CH:12][NH:13][C:14](=O)[C:9]=3[CH:8]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.O=P(Cl)(Cl)[Cl:19]>>[Cl:19][C:14]1[C:9]2[CH:8]=[C:7]([C:1]3[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=3)[O:16][C:10]=2[N:11]=[CH:12][N:13]=1 | 1 |
ClC1C=CC=C(C(OO)=[O:9])C=1.[NH:12]=[C:13]1[N:17]([CH2:18][CH2:19][S:20][C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=2)[C:16]2[CH:27]=[CH:28][C:29]([O:31][C:32]([F:35])([F:34])[F:33])=[CH:30][C:15]=2[S:14]1>C(O)C>[NH:12]=[C:13]1[N:17]([CH2:18][CH2:19][S:20]([C:21]2[CH:22]=[CH:23][CH:24]=[CH:25][CH:26]=2)=[O:9])[C:16]2[CH:27]=[CH:28][C:29]([O:31][C:32]([F:34])([F:35])[F:33])=[CH:30][C:15]=2[S:14]1 | 1 |
Br[C:2]1[C:3]2[N:10]([CH2:11][CH3:12])[C:9]([C:13]3[C:14]([NH2:18])=[N:15][O:16][N:17]=3)=[N:8][C:4]=2[CH:5]=[N:6][CH:7]=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.[NH2:65][C:66]1[CH:71]=[CH:70][CH:69]=[CH:68][CH:67]=1.CC(C)([O-])C.[Na+]>O1CCOCC1.C1(C)C=CC=CC=1.C(OCC)(=O)C>[NH2:18][C:14]1[C:13]([C:9]2[N:10]([CH2:11][CH3:12])[C:3]3[C:2]([NH:65][C:66]4[CH:71]=[CH:70][CH:69]=[CH:68][CH:67]=4)=[CH:7][N:6]=[CH:5][C:4]=3[N:8]=2)=[N:17][O:16][N:15]=1 | 1 |
BrCC1=C(C=C(C=C1)NC(C(F)(F)F)=O)C(F)(F)F>>C(C)OP(OCC)(=O)CC1=C(C=C(C=C1)NC(C(F)(F)F)=O)C(F)(F)F | 5 |
C(C)(C)(C)OC(N[C@H]1[C@@H](CN(CC1)C1=C(C(=CC(=C1)C#N)N)Cl)O)=O.ClC1=NN2C(C(=N1)N(CC1=CC=C(C=C1)OC)CC)=NC=C2C#N>[Pd+2].[O-]C(=O)C.[O-]C(=O)C.O1CCOCC1.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(=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]>C(C)(C)(C)OC(N[C@H]1[C@@H](CN(CC1)C1=C(C(=CC(=C1)C#N)NC1=NN2C(C(=N1)NCC)=NC=C2C#N)Cl)O)=O | 3 |
ClC1=C(C(=O)N2N=C(C3=CC=C(C=C23)N2C(CC2)=O)C2=C(C=C(C(=O)OC)C=C2)F)C(=CC=C1)C(F)(F)F>O.C1CCCO1.[OH-].[Li+]>C(=O)(O)CCNC1=CC=C2C(=NN(C2=C1)C(C1=C(C=CC=C1C(F)(F)F)Cl)=O)C1=C(C=C(C(=O)O)C=C1)F | 3 |
Br[CH2:2][CH:3]1[CH2:8][CH2:7][O:6][CH2:5][CH2:4]1.BrCC1OC(C(F)(F)F)=CC=1.[F:20][C:21]1[C:22]([F:39])=[CH:23][C:24]2[O:38][CH2:37][C:27]3([C:35]4[C:30](=[CH:31][CH:32]=[CH:33][CH:34]=4)[NH:29][C:28]3=[O:36])[C:25]=2[CH:26]=1.CC1C2C=C3C4(C5C(=CC=CC=5)NC4=O)COC3=CC=2ON=1>>[F:20][C:21]1[C:22]([F:39])=[CH:23][C:24]2[O:38][CH2:37][C:27]3([C:35]4[C:30](=[CH:31][CH:32]=[CH:33][CH:34]=4)[N:29]([CH2:2][CH:3]4[CH2:8][CH2:7][O:6][CH2:5][CH2:4]4)[C:28]3=[O:36])[C:25]=2[CH:26]=1 | 1 |
ClC1=NC(=CC=C1C1=C(C=CC=C1)NC(C)=O)Cl>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].[H-].[Na+]>ClC=1C=CC2=C(NC3=CC=CC=C23)N1 | 3 |
ClC1C=C2C(C(N)=NN2C)=CC=1.[NH2:13][C:14]1[CH2:19][O:18][CH2:17][C@:16]([C:21]2[CH:22]=[C:23]([NH:28][C:29]3[C:37]4[C:32](=[CH:33][C:34]([Cl:38])=[CH:35][CH:36]=4)[N:31]([CH3:39])[N:30]=3)[CH:24]=[CH:25][C:26]=2[F:27])([CH3:20])[N:15]=1>>[Cl:38][C:34]1[CH:33]=[C:32]2[C:37]([C:29]([NH:28][C:23]3[CH:24]=[CH:25][C:26]([F:27])=[C:21]([C@@:16]4([CH3:20])[CH2:17][O:18][CH2:19][C:14]([NH2:13])=[N:15]4)[CH:22]=3)=[N:30][N:31]2[CH3:39])=[CH:36][CH:35]=1 | 1 |
[F:1][C:2]1[CH:3]=[C:4]([C:13](=O)[CH2:14][O:15][CH3:16])[CH:5]=[CH:6][C:7]=1[O:8][C:9]([F:12])([F:11])[F:10].Cl.[NH2:19][OH:20].C(O)C>C(N(CC)CC)C>[F:1][C:2]1[CH:3]=[C:4]([C:13](=[N:19][OH:20])[CH2:14][O:15][CH3:16])[CH:5]=[CH:6][C:7]=1[O:8][C:9]([F:12])([F:11])[F:10] | 2 |
NC(C(=O)O)CC1=CC=C(C=C1)OCCC1=NC=C(C=C1)CC>O.Br.N(=O)[O-].[Na+]>BrC(C(=O)O)CC1=CC=C(C=C1)OCCC1=NC=C(C=C1)CC | 3 |
O1CCOC12CC=C(CC2)C=2C=NN(C2)COCC[Si](C)(C)C>>O1CCOC12CCC(CC2)C=2C=NN(C2)COCC[Si](C)(C)C | 5 |
FC1=C(C=CC=C1C(F)(F)F)B(O)O.ClCC=1N=C2N(C(C1)=O)C(=C(S2)C)C(=O)OC>O.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.Cl[Pd]Cl.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]>FC1=C(CC=2N=C3N(C(C2)=O)C(=C(S3)C)C(=O)OC)C=CC=C1C(F)(F)F | 3 |
N1N=CC(=C1)CC1CCN(CC1)C(=O)OC(C)(C)C>N(C)(C)C=O.IN1C(CCC1=O)=O>IC1=NNC=C1CC1CCN(CC1)C(=O)OC(C)(C)C | 3 |
COC1=C(C=C(C=C1)C1=CC=NN1C1=CC=C(C#N)C=C1)O[C@H]1COCC1>N(C)(C)C=O.[N-]=[N+]=[N-].[Na+].[Cl-].[NH4+]>COC1=C(C=C(C=C1)C1=CC=NN1C1=CC=C(C=C1)C1=NN=NN1)O[C@H]1COCC1 | 3 |
BrC=1C=CC(=C(C(=O)NC2=C(C(=CC=C2F)O)F)C1)F>C1CCCO1>BrC=1C=CC(=C(C1)CNC=1C(=C(C=CC1F)O)F)F | 3 |
C(CCCCl)(Cl)=O.NC1=C(C(=CC(=C1C1=CC(=CC(=C1)F)F)C(C)=O)Cl)C>CC(C)(C)[O-].[K+].C1CCCO1.ClCCl.c1ccncc1.[Cl-].[NH4+].C(O)([O-])=O.[Na+]>C(C)(=O)C1=CC(=C(C(=C1C1=CC(=CC(=C1)F)F)N1C(CCC1)=O)C)Cl | 3 |
N([C@@H](CCC(NC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)=O)C(=O)O)C(=O)OCC1=CC=CC=C1>>C(C1=CC=CC=C1)OC(N[C@@H](CCC(NC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)=O)CO)=O | 5 |
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