smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(C)C(COC(CCS)=O)CCCC.BrC=1N=CC(=NC1)N1CCC2(CC1)CC1=CC=CC=C1[C@H]2N[S@](=O)C(C)(C)C>C1(=CC=CC=C1)C.C(=O)(C(F)(F)F)O.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>CC(C)(C)[S@@](=O)N[C@@H]1C2=CC=CC=C2CC12CCN(CC2)C=2N=CC(=NC2)SCCC(=O)OCC(CCCC)CC | 3 |
[Br:1][C:2]1[CH:10]=[CH:9][C:5]([C:6]([OH:8])=[O:7])=[C:4]([CH3:11])[CH:3]=1.[CH3:12]O>>[Br:1][C:2]1[CH:10]=[CH:9][C:5]([C:6]([O:8][CH3:12])=[O:7])=[C:4]([CH3:11])[CH:3]=1 | 1 |
C[S-].[Na+].BrCC(=O)C1=CC(=CC(=C1)Cl)Cl>CO[H]>ClC=1C=C(C=C(C1)Cl)C(CSC)=O | 3 |
[CH3:1][C:2]1([CH3:32])[C:10]2[C:5](=[CH:6][C:7]([N+:23]([O-])=O)=[C:8]([N:11]([CH3:22])[C:12](=O)[CH2:13][CH2:14][C:15]3[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=3)[CH:9]=2)[N:4]([CH2:26][CH2:27][CH2:28][CH2:29][CH3:30])[C:3]1=[O:31]>C(Cl)Cl.CO>[CH3:22][N:11]1[C:8]2=[CH:9][C:10]3[C:2]([CH3:1])([CH3:32])[C:3](=[O:31])[N:4]([CH2:26][CH2:27][CH2:28][CH2:29][CH3:30])[C:5]=3[CH:6]=[C:7]2[N:23]=[C:12]1[CH2:13][CH2:14][C:15]1[CH:16]=[CH:17][CH:18]=[CH:19][CH:20]=1 | 1 |
COC([C@@H](N)C(C)C)=O.C(C)(C)(C)OC(=O)N1CC(CC1)(C(=O)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>OC1(CN(CC1)C(=O)OC(C)(C)C)C(N[C@H](C(=O)OC)C(C)C)=O | 3 |
C(CCC)[Sn](C#CC)(CCCC)CCCC.BrC=1N=CC(=NC1Cl)N>[Cu]I.N(C)(C)C=O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Pd+2].CCN(CC)CC>ClC1=C(N=CC(=N1)N)C#CC | 3 |
BrCCO.Cl.N1CC(C1)N1CCN(CC1)C(=O)OC(C)(C)C>N(C)(C)C=O.ClCCl.C(=O)([O-])[O-].[Cs+].[Cs+]>OCCN1CC(C1)N1CCN(CC1)C(=O)OC(C)(C)C | 3 |
[O:1]=[C:2]1[CH:7]=[C:6]([O:8][CH2:9][C:10]2[CH:15]=[CH:14][C:13]([C:16]([F:19])([F:18])[F:17])=[CH:12][N:11]=2)[CH:5]=[CH:4][N:3]1[C:20]1[CH:25]=[CH:24][C:23]2[C:26]3[CH2:27][N:28](C(OC(C)(C)C)=O)[CH2:29][CH2:30][C:31]=3[O:32][C:22]=2[CH:21]=1.[ClH:40]>>[ClH:40].[CH2:27]1[C:26]2[C:23]3[CH:24]=[CH:25][C:20]([N:3]4[CH:4]=[CH:5][C:6]([O:8][CH2:9][C:10]5[CH:15]=[CH:14][C:13]([C:16]([F:17])([F:18])[F:19])=[CH:12][N:11]=5)=[CH:7][C:2]4=[O:1])=[CH:21][C:22]=3[O:32][C:31]=2[CH2:30][CH2:29][NH:28]1 | 2 |
[CH3:1][O:2][C:3]1[CH:14]=[CH:13][C:6]2[C:7]([CH2:10][CH2:11]I)=[CH:8][O:9][C:5]=2[CH:4]=1.[CH3:15][C:16]1[CH:17]=[C:18]2[C:23](=[C:24]([N:26]3[CH2:31][CH2:30][NH:29][CH2:28][CH2:27]3)[CH:25]=1)[N:22]=[CH:21][CH:20]=[CH:19]2>>[CH3:1][O:2][C:3]1[CH:14]=[CH:13][C:6]2[C:7]([CH2:10][CH2:11][N:29]3[CH2:30][CH2:31][N:26]([C:24]4[CH:25]=[C:16]([CH3:15])[CH:17]=[C:18]5[C:23]=4[N:22]=[CH:21][CH:20]=[CH:19]5)[CH2:27][CH2:28]3)=[CH:8][O:9][C:5]=2[CH:4]=1 | 1 |
CC1C=CC(S(O[CH2:12][CH2:13][C:14]2[CH:15]=[C:16]3[C:20](=[CH:21][CH:22]=2)[NH:19][CH:18]=[C:17]3[S:23]([C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=2)(=[O:25])=[O:24])(=O)=O)=CC=1.[N-:32]=[N+:33]=[N-:34].[Na+]>CN(C=O)C>[N:32]([CH2:12][CH2:13][C:14]1[CH:15]=[C:16]2[C:20](=[CH:21][CH:22]=1)[NH:19][CH:18]=[C:17]2[S:23]([C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=1)(=[O:25])=[O:24])=[N+:33]=[N-:34] | 1 |
BrC=1C=C(C#N)C=CC1F.C1CCC(C=2C3=CC=CC=C3NC12)=O.BrC=1C=C(C(=O)N)C=CC1N1C2=CC=CC=C2C=2C(CCCC12)=O>>BrC=1C=C(C#N)C=CC1N1C2=CC=CC=C2C=2C(CCCC12)=O | 5 |
C(C)(C)(C)S(=O)N(C1(COC1)C1=CC=C(C=C1)C(C(=O)OCC=C)C(C)C)COCC[Si](C)(C)C>CCO[H].Cl.O1CCOCC1>NC1(COC1)C1=CC=C(C=C1)C(C(=O)OCC=C)C(C)C | 3 |
C1C=CN=C(C2C=CC=CN=2)C=1.[CH:13]1(B(O)O)[CH2:15][CH2:14]1.[CH2:19]([N:21]1[C:30]2[C:25](=[CH:26][C:27]([N+:31]([O-:33])=[O:32])=[CH:28][CH:29]=2)[C:24](=[O:34])[NH:23][C:22]1=[O:35])[CH3:20].C(=O)([O-])[O-].[Na+].[Na+]>ClCCl.C([O-])(=O)C.[Cu+2].C([O-])(=O)C.O>[CH:13]1([N:23]2[C:24](=[O:34])[C:25]3[C:30](=[CH:29][CH:28]=[C:27]([N+:31]([O-:33])=[O:32])[CH:26]=3)[N:21]([CH2:19][CH3:20])[C:22]2=[O:35])[CH2:15][CH2:14]1 | 2 |
CNC.C1COCC1.[CH3:9][N:10]([CH:12]=O)[CH3:11].ClC[C:16](=[NH:49])[NH:17][S:18]([C:21]1[CH:26]=[CH:25][CH:24]=[C:23]([C:27](=[O:48])[C:28](=[C:39]2[NH:43][C:42]3[CH:44]=[CH:45][CH:46]=[CH:47][C:41]=3[NH:40]2)[C:29]([C:31]2[CH:36]=[C:35]([F:37])[CH:34]=[C:33]([F:38])[CH:32]=2)=[O:30])[CH:22]=1)(=[O:20])=[O:19]>O>[F:37][C:35]1[CH:36]=[C:31]([C:29](=[O:30])[C:28](=[C:39]2[NH:40][C:41]3[CH:47]=[CH:46][CH:45]=[CH:44][C:42]=3[NH:43]2)[C:27]([C:23]2[CH:22]=[C:21]([S:18]([NH:17][C:16](=[NH:49])[CH2:12][N:10]([CH3:9])[CH3:11])(=[O:19])=[O:20])[CH:26]=[CH:25][CH:24]=2)=[O:48])[CH:32]=[C:33]([F:38])[CH:34]=1 | 1 |
C1(CCCC1)N.ClC1=CC=2N(C=C1)N=C(C2C2=NC(=NC=C2)NC2CCCC2)C2=CC=C(C=C2)OC>>C1(CCCC1)NC1=NC=CC(=N1)C=1C(=NN2C1C=C(C=C2)NC(C)C)C2=CC=C(C=C2)OC | 5 |
C1COCCN1.C(#N)C=1C=C2C(=CC=NC2=CC1OCC1OC1)OC1=CC(=C(C=C1)NC(=O)NC1=CC=C(C=C1)F)F>>C(#N)C=1C=C2C(=CC=NC2=CC1OCC(CN1CCOCC1)O)OC1=CC(=C(C=C1)NC(=O)NC1=CC=C(C=C1)F)F | 5 |
[C:1]([O:5][C:6]([NH:8][C@H:9]([C:13]([O:16][CH3:17])([CH3:15])[CH3:14])[C:10]([OH:12])=O)=[O:7])([CH3:4])([CH3:3])[CH3:2].CCN(CC)CC.ClC(OCC)=O.[F:31][C:32]1[CH:41]=[CH:40][C:39]([F:42])=[CH:38][C:33]=1[C:34](=[NH:37])[NH:35][NH2:36]>C1COCC1>[F:31][C:32]1[CH:41]=[CH:40][C:39]([F:42])=[CH:38][C:33]=1[C:34](=[NH:37])[NH:35][NH:36][C:10](=[O:12])[C@H:9]([NH:8][C:6](=[O:7])[O:5][C:1]([CH3:2])([CH3:3])[CH3:4])[C:13]([O:16][CH3:17])([CH3:15])[CH3:14] | 1 |
BrC=1C=CC2=C(SC3=C(CC2O)C=CC=C3)C1>O.C1=CC=CC=C1.C1(=CC=C(C=C1)S(=O)(=O)O)C>BrC=1C=CC2=C(SC3=C(C=C2)C=CC=C3)C1 | 3 |
[C:1]([C:4]1[S:8][C:7]([N:9]2[C:13]3[CH:14]=[C:15]([C:18]([OH:20])=O)[CH:16]=[CH:17][C:12]=3[N:11]=[CH:10]2)=[N:6][C:5]=1[C:21]1[CH:26]=[CH:25][CH:24]=[C:23]([Cl:27])[CH:22]=1)(=[O:3])[NH2:2].[CH3:28][N:29]1[CH2:34][CH2:33][NH:32][CH2:31][CH2:30]1.CN(C(N(C)C)=[N+]1C2C(=NC=CC=2)N=N1)C.F[P-](F)(F)(F)(F)F.Cl>O.CN(C)C=O>[Cl:27][C:23]1[CH:22]=[C:21]([C:5]2[N:6]=[C:7]([N:9]3[C:13]4[CH:14]=[C:15]([C:18]([N:32]5[CH2:33][CH2:34][N:29]([CH3:28])[CH2:30][CH2:31]5)=[O:20])[CH:16]=[CH:17][C:12]=4[N:11]=[CH:10]3)[S:8][C:4]=2[C:1]([NH2:2])=[O:3])[CH:26]=[CH:25][CH:24]=1 | 1 |
C(C)(=O)NO.C(C)OC(CC1=CC(=C(C=C1)F)C#N)=O>N(C)(C)C=O.O.C([O-])([O-])=O.[K+].[K+]>C(C)OC(CC=1C=CC2=C(C(=NO2)N)C1)=O | 3 |
BrC1=CC=2CCC3=CC(=CC=C3C2C=C1)Br.CC1(OB(OC1(C)C)C=1C=CC2=C(NC(=N2)[C@H]2N(CCC2)C(=O)OC(C)(C)C)C1)C>C([O-])([O-])=O.[K+].[K+].COCCOC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>BrC1=CC=C2C=3C=CC(=CC3CCC2=C1)C=1C=CC2=C(NC(=N2)[C@H]2N(CCC2)C(=O)OC(C)(C)C)C1 | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:14]=[CH:15][C:16]=1[Cl:17])[CH2:5][N:6]1[CH2:11][CH2:10][O:9][CH:8]([CH2:12][NH2:13])[CH2:7]1.[Cl:18][C:19]1[CH:20]=[C:21]([CH2:25][C:26](O)=[O:27])[CH:22]=[CH:23][CH:24]=1>>[Cl:18][C:19]1[CH:20]=[C:21]([CH2:25][C:26]([NH:13][CH2:12][CH:8]2[O:9][CH2:10][CH2:11][N:6]([CH2:5][C:4]3[CH:14]=[CH:15][C:16]([Cl:17])=[C:2]([Cl:1])[CH:3]=3)[CH2:7]2)=[O:27])[CH:22]=[CH:23][CH:24]=1 | 1 |
CNC1CN(C1)C(=O)OC(C)(C)C.ClC=1C=C2C(N(C(C2=CC1)=O)C=1C=NC=C(C1)I)(C)C>>C(C)(C)(C)OC(=O)N1CC(C1)N(C)C=1C=NC=C(C1)N1C(C2=CC(=CC=C2C1=O)Cl)(C)C | 5 |
Cl[C:2]1[C:7]([N+:8]([O-:10])=[O:9])=[CH:6][C:5]([Br:11])=[CH:4][N:3]=1.[CH3:12][O-:13].[Na+]>CO>[CH3:12][O:13][C:2]1[C:7]([N+:8]([O-:10])=[O:9])=[CH:6][C:5]([Br:11])=[CH:4][N:3]=1 | 2 |
CS(O[CH2:6][CH2:7][N:8]1[CH:12]=[C:11]([C:13]2[CH:18]=[C:17]([C:19]([O:21]C)=[O:20])[CH:16]=[CH:15][N:14]=2)[N:10]=[CH:9]1)(=O)=O.[Cl:23][C:24]1[CH:25]=[C:26]2[C:31](=[CH:32][CH:33]=1)[NH:30][CH2:29][CH2:28][CH2:27]2>>[Cl:23][C:24]1[CH:25]=[C:26]2[C:31](=[CH:32][CH:33]=1)[N:30]([CH2:6][CH2:7][N:8]1[CH:12]=[C:11]([C:13]3[CH:18]=[C:17]([C:19]([OH:21])=[O:20])[CH:16]=[CH:15][N:14]=3)[N:10]=[CH:9]1)[CH2:29][CH2:28][CH2:27]2 | 1 |
FC=1C=C(C=CC1C(F)(F)F)B(O)O.BrC1=CN=CC=2C1=NC(=CN2)C(=O)N2CC(CC2)O>>FC=1C=C(C=CC1C(F)(F)F)C1=CN=CC=2C1=NC(=CN2)C(=O)N2CC(CC2)O | 5 |
[N+](=O)([O-])C=1C=C2C(=NC1)NC(=N2)CO>>NC=1C=C2C(=NC1)NC(=N2)CO | 5 |
ClC1=CC=C(C(=N1)N[C@@H](C(=O)OC)CC(=O)OC)[N+](=O)[O-]>O.[Fe].C(C)(C)O.C(C)(=O)O>ClC=1C=CC2=C(N[C@@H](C(N2)=O)CC(=O)OC)N1 | 3 |
[N+:1]([C:4]1[CH:9]=[CH:8][C:7]([N:10]2[CH2:14][CH2:13][NH:12][C:11]2=[O:15])=[CH:6][CH:5]=1)([O-:3])=[O:2].[H-].[Na+].[CH3:18]I.O>CN(C)C=O>[N+:1]([C:4]1[CH:5]=[CH:6][C:7]([N:10]2[CH2:14][CH2:13][N:12]([CH3:18])[C:11]2=[O:15])=[CH:8][CH:9]=1)([O-:3])=[O:2] | 1 |
C(C1=CC=CC=C1)(=O)Cl.N1=CN=C2N=CNC2=C1N>>C(C1=CC=CC=C1)(=O)NC1=C2NC=NC2=NC=N1 | 5 |
C[C:2]1[C:16](C)=[CH:15][C:5]2[NH:6][C:7]([NH:9][C:10](=[O:14])[CH2:11][CH2:12][NH2:13])=[N:8][C:4]=2[CH:3]=1.NC1NC2C=CC=CC=2N=1>>[NH:6]1[C:5]2[CH:15]=[CH:16][CH:2]=[CH:3][C:4]=2[N:8]=[C:7]1[NH:9][C:10](=[O:14])[CH2:11][CH2:12][NH2:13] | 1 |
[N:1]1[C:6]2[CH2:7][CH2:8][C:9]3[CH:15]=[CH:14][CH:13]=[CH:12][C:10]=3[NH:11][C:5]=2[CH:4]=[CH:3][CH:2]=1.[C:16](#[N:19])[CH:17]=[CH2:18]>C1(C)C=CC=CC=1>[N:1]1[C:6]2[CH2:7][CH2:8][C:9]3[CH:15]=[CH:14][CH:13]=[CH:12][C:10]=3[N:11]([CH2:18][CH2:17][C:16]#[N:19])[C:5]=2[CH:4]=[CH:3][CH:2]=1 | 2 |
ClC1=C(C(=O)O)C=CC=C1C(C)(C)C#N.NC=1C=C(OC2=C(C3=C(N=C(S3)NC(C)=O)C=C2)C#N)C=CC1F>N(C)(C)C=O.C1CCCO1.C(C(=O)Cl)(=O)Cl>C(C)(=O)NC=1SC2=C(N1)C=CC(=C2C#N)OC=2C=CC(=C(C2)NC(C2=C(C(=CC=C2)C(C)(C)C#N)Cl)=O)F | 3 |
COCCNCCOC.C(C1=CC=CC=C1)OC(NC(C)(CC=O)C)=O>>C(C1=CC=CC=C1)OC(NC(C)(CCN(CCOC)CCOC)C)=O | 5 |
[CH3:1][N:2]1[CH2:7][CH2:6][N:5]([CH2:8][CH2:9][CH2:10][O:11][C:12]2[CH:17]=[CH:16][C:15]([N+:18]([O-])=O)=[C:14]([O:21][CH3:22])[CH:13]=2)[CH2:4][CH2:3]1>CO.[Pd]>[CH3:22][O:21][C:14]1[CH:13]=[C:12]([O:11][CH2:10][CH2:9][CH2:8][N:5]2[CH2:6][CH2:7][N:2]([CH3:1])[CH2:3][CH2:4]2)[CH:17]=[CH:16][C:15]=1[NH2:18] | 1 |
[C:1]1([CH2:7][CH2:8][NH2:9])[CH2:6][CH2:5][CH2:4][CH2:3][CH:2]=1.[ClH:10]>CO.[Pd].ClCCl.C(OCC)C>[ClH:10].[CH:1]1([CH2:7][CH2:8][NH2:9])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1 | 2 |
CN1C2C(NCC1CC2)=O>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>CN1C2CNCC1CC2 | 3 |
Cl[C:2]1[CH:3]=[C:4]([C:11](=[O:13])[CH3:12])[CH:5]=[CH:6][C:7]=1[N+:8]([O-:10])=[O:9].[Cl:14][C:15]1[CH:16]=[C:17]([OH:21])[CH:18]=[CH:19][CH:20]=1.C(=O)([O-])[O-].[K+].[K+]>C1(C)C(C)=CC=CC=1>[Cl:14][C:15]1[CH:16]=[C:17]([CH:18]=[CH:19][CH:20]=1)[O:21][C:2]1[CH:3]=[C:4]([C:11](=[O:13])[CH3:12])[CH:5]=[CH:6][C:7]=1[N+:8]([O-:10])=[O:9] | 1 |
C1(C=CC(N1)=O)=O.C(C1=CC=2OCOC2C=C1)O>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OCC)C(=O)OCC>O1COC2=C1C=CC(=C2)CN2C(C=CC2=O)=O | 3 |
[CH2:1]([O:3][CH2:4][CH2:5][O:6][C:7]1[N:15]=[C:14]2[C:10]([N:11]=[C:12]([O:22][CH3:23])[N:13]2C2CCCCO2)=[C:9]([NH2:24])[N:8]=1)[CH3:2].[C:25]([OH:31])([C:27]([F:30])([F:29])[F:28])=[O:26]>CO>[F:28][C:27]([F:30])([F:29])[C:25]([OH:31])=[O:26].[CH2:1]([O:3][CH2:4][CH2:5][O:6][C:7]1[NH:8][C:9]([NH2:24])=[C:10]2[C:14]([N:15]=1)=[N:13][C:12]([O:22][CH3:23])=[N:11]2)[CH3:2] | 1 |
C(C)(=O)OC(C)=O.C(C1=CC=CC=C1)N1CCC2(CC1)C=1N(C3=C(O2)C=CC=C3)C(=CC1)CO>>C(C)(=O)OCC1=CC=C2N1C1=C(OC23CCN(CC3)CC3=CC=CC=C3)C=CC=C1 | 5 |
C([O:4][C@H:5]1[CH2:22][CH2:21][C@@:20]2([CH3:23])[C@@H:7]([CH2:8][CH2:9][C@:10]3([CH3:44])[C@@H:19]2[CH2:18][CH2:17][C@H:16]2[C@@:11]3([CH3:43])[CH2:12][CH2:13][C@@:14]3([C:30]([N:32]4[CH2:37][CH2:36][C:35]([CH2:41][CH3:42])([C:38]([OH:40])=[O:39])[CH2:34][CH2:33]4)=[O:31])[CH2:26][CH2:25][C@@H:24]([C:27]([CH3:29])=[CH2:28])[C@@H:15]32)[C:6]1([CH3:46])[CH3:45])(=O)C.C1COCC1.[OH-].[Na+]>CO>[CH2:41]([C:35]1([C:38]([OH:40])=[O:39])[CH2:34][CH2:33][N:32]([C:30]([C@:14]23[CH2:26][CH2:25][C@@H:24]([C:27]([CH3:29])=[CH2:28])[C@@H:15]2[C@@H:16]2[C@@:11]([CH3:43])([CH2:12][CH2:13]3)[C@@:10]3([CH3:44])[C@@H:19]([C@:20]4([CH3:23])[C@@H:7]([CH2:8][CH2:9]3)[C:6]([CH3:46])([CH3:45])[C@@H:5]([OH:4])[CH2:22][CH2:21]4)[CH2:18][CH2:17]2)=[O:31])[CH2:37][CH2:36]1)[CH3:42] | 1 |
C(CCCCC)C=1C2=CC=C(N2)C(=C2C=CC(C(=C3C=CC(=C(C=4C=CC1N4)C4=CC=C(C=C4)C(=O)OC)N3)CCCCCC)=N2)C2=CC=C(C=C2)C(=O)OC>>C(=O)(O)C1=CC=C(C=C1)C=1C2=CC=C(N2)C(=C2C=CC(C(=C3C=CC(=C(C=4C=CC1N4)CCCCCC)N3)C3=CC=C(C=C3)C(=O)O)=N2)CCCCCC | 5 |
Br[C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[C:4]([N+:9]([O-:11])=[O:10])[C:3]=1[F:12].[CH3:13][O:14][C:15](=[O:20])[CH2:16][CH2:17][C:18]#[CH:19].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1>C([O-])(=O)C.[Pd+2].C([O-])(=O)C.[Cu]I.C(N(CC)CC)C>[CH3:13][O:14][C:15](=[O:20])[CH2:16][CH2:17][C:18]#[C:19][C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[C:4]([N+:9]([O-:11])=[O:10])[C:3]=1[F:12] | 2 |
FC(C1=C(CBr)C=CC=C1)(F)F.C(C1=CC=CC=C1)OC(=O)N1C(=NC(C1)=O)N>>C(C1=CC=CC=C1)OC(=O)N1C(=NC(C1)=O)NCC1=C(C=CC=C1)C(F)(F)F | 5 |
Br[C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([F:8])[C:3]=1[F:9].[N:10]1[CH:15]=[CH:14][CH:13]=[C:12]2[CH2:16][C:17](=[O:21])[CH2:18][CH2:19][CH2:20][C:11]=12>C1COCC1>[F:9][C:3]1[C:4]([F:8])=[CH:5][CH:6]=[CH:7][C:2]=1[C:17]1([OH:21])[CH2:18][CH2:19][CH2:20][C:11]2=[N:10][CH:15]=[CH:14][CH:13]=[C:12]2[CH2:16]1 | 1 |
NC1C=C(C=C([N+]([O-])=O)C=1C(=O)C1C=CC=CC=1)C(O)=[O:6].N[C:23]1[CH:24]=[C:25]([CH:29]=[C:30]([N+:41]([O-:43])=[O:42])[C:31]=1[C:32](=[O:40])[C:33]1[CH:38]=[CH:37][C:36]([Cl:39])=[CH:35][CH:34]=1)[C:26]([OH:28])=[O:27]>>[Cl:39][C:36]1[CH:37]=[CH:38][C:33]([C:32]([C:31]2[C:30]([N+:41]([O-:43])=[O:42])=[CH:29][C:25]([C:26]([OH:28])=[O:27])=[CH:24][C:23]=2[OH:6])=[O:40])=[CH:34][CH:35]=1 | 1 |
Br.[Cl:2][C:3]1[CH:4]=[C:5]([N:9]([C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=2)[C:10]([N:12]2[CH2:17][CH2:16][NH:15][CH2:14][C@H:13]2[C:18]([OH:20])=[O:19])=[O:11])[CH:6]=[CH:7][CH:8]=1.C(N(CC)C(C)C)(C)C.[CH2:36]([N:41]([CH2:45][CH2:46][CH2:47][CH2:48][CH3:49])[C:42](Cl)=[O:43])[CH2:37][CH2:38][CH2:39][CH3:40]>C(Cl)Cl>[Cl:2][C:3]1[CH:4]=[C:5]([N:9]([C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=2)[C:10]([N:12]2[CH2:17][CH2:16][N:15]([C:42](=[O:43])[N:41]([CH2:45][CH2:46][CH2:47][CH2:48][CH3:49])[CH2:36][CH2:37][CH2:38][CH2:39][CH3:40])[CH2:14][C@H:13]2[C:18]([OH:20])=[O:19])=[O:11])[CH:6]=[CH:7][CH:8]=1 | 1 |
[Br:1]Br.[CH3:3][O:4][C:5]1[CH:6]=[CH:7][CH:8]=[C:9]2[C:14]=1[N:13]=[C:12]([C:15]1[CH:16]=[N:17][CH:18]=[CH:19][CH:20]=1)[CH:11]=[CH:10]2>CO>[Br:1][C:8]1[CH:7]=[CH:6][C:5]([O:4][CH3:3])=[C:14]2[C:9]=1[CH:10]=[CH:11][C:12]([C:15]1[CH:16]=[N:17][CH:18]=[CH:19][CH:20]=1)=[N:13]2 | 1 |
C(C)(C)OCCOC=1C=C(C=CC1)C(CC(=O)OC)CN1C[C@@H](CC1)CCC1=NC=2NCCCC2C=C1>O.C1CCCO1.CO[H].[OH-].[Li+]>C(C)(C)OCCOC=1C=C(C=CC1)C(CC(=O)O)CN1C[C@@H](CC1)CCC1=NC=2NCCCC2C=C1 | 3 |
BrC1=CC(=NC=C1)O.C(C)(C)N1CCN(CC1)C(=O)OC1CCNCC1>ClCCl.CCN(CC)CC>O=C1NC=CC(=C1)N1CCC(CC1)OC(=O)N1CCN(CC1)C(C)C | 3 |
[CH2:1]([O:8][C@H:9]([CH3:44])[C@@H:10]([C:20]([NH:22][C@H:23]([C:28]([N:30]([C@@H:32]([CH:41]([CH3:43])[CH3:42])/[CH:33]=[C:34](\[CH3:40])/[C:35]([O:37][CH2:38][CH3:39])=[O:36])[CH3:31])=[O:29])[C:24]([CH3:27])([CH3:26])[CH3:25])=[O:21])[N:11](C(OC(C)(C)C)=O)[CH3:12])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.FC(F)(F)C(O)=O>ClCCl>[CH2:1]([O:8][C@H:9]([CH3:44])[C@@H:10]([C:20]([NH:22][C@H:23]([C:28]([N:30]([C@@H:32]([CH:41]([CH3:43])[CH3:42])/[CH:33]=[C:34](\[CH3:40])/[C:35]([O:37][CH2:38][CH3:39])=[O:36])[CH3:31])=[O:29])[C:24]([CH3:27])([CH3:26])[CH3:25])=[O:21])[NH:11][CH3:12])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 2 |
[OH:1][CH:2]([C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)[C:3]1[O:7][N:6]=[C:5]([C:8]([OH:10])=O)[CH:4]=1.Cl.[O:18]1[CH2:22][CH2:21][CH:20]([CH2:23][NH2:24])[CH2:19]1.C(N(CC)CC)C.ON1C2C=CC=CC=2N=N1.Cl.C(N=C=NCCCN(C)C)C>C(Cl)(Cl)Cl>[O:18]1[CH2:22][CH2:21][CH:20]([CH2:23][NH:24][C:8]([C:5]2[CH:4]=[C:3]([CH:2]([C:11]3[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=3)[OH:1])[O:7][N:6]=2)=[O:10])[CH2:19]1 | 2 |
C(ON)C1C=CC=CC=1.C(Cl)(=O)C.C([O:16][P:17]([O:21][CH2:22][CH3:23])[O:18][CH2:19][CH3:20])C.[Br:24][CH2:25][CH2:26][CH2:27]Br>C(N(CC)CC)C>[Br:24][CH2:25][CH2:26][CH2:27][P:17](=[O:16])([O:18][CH2:19][CH3:20])[O:21][CH2:22][CH3:23] | 2 |
C(C)(=O)OC(C)C=C.C(C)(=O)O[C@H](CCC)CC(=CC=O)C>>C(C)(=O)O[C@H](CCC)C\C(=C\[C@H]([C@H](C=C)C)O)\C | 5 |
O1CCC(CC1)C(=O)C1=CC=C(C(=O)OC)C=C1.FC(C=1C=NN(C1)C1=CC=C(C=N1)N)(F)F>CO[H].[B][B][B][B][B][B][B][B][B][B]>O1CCC(CC1)C(C1=CC=C(C(=O)OC)C=C1)NC=1C=NC(=CC1)N1N=CC(=C1)C(F)(F)F | 3 |
[C:1]([O:9][CH2:10][C@@H:11]1[C@@H:15]([O:16][C:17](=[O:24])[C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)[C@H:14]([F:25])[C@H:13]([N:26]2[CH:34]=[N:33][C:32]3[C:27]2=[N:28][CH:29]=[N:30][C:31]=3[NH2:35])[C:12]1(O)[CH2:36]O)(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C([O-])(O)=O.[Na+]>C(#N)C>[C:1]([O:9][CH2:10][C@@H:11]1[C@@H:15]([O:16][C:17](=[O:24])[C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)[C@H:14]([F:25])[C@H:13]([N:26]2[CH:34]=[N:33][C:32]3[C:27]2=[N:28][CH:29]=[N:30][C:31]=3[NH2:35])[C:12]1=[CH2:36])(=[O:8])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
CC1(OB(OC1(C)C)C=1C=C2C(=NC1)NC=C2)C.[Si](C)(C)(C(C)(C)C)OC(CN(C(OC(C)(C)C)=O)C)COC1=CC(=CC(=C1)OC)C1=NC=2N(C(=C1)Cl)N=CC2C(C)C>>[Si](C)(C)(C(C)(C)C)OC(CN(C(OC(C)(C)C)=O)C)COC1=CC(=CC(=C1)OC)C1=CC(=C2C(=N1)N(N=C2)C(C)C)C=2C=C1C(=NC2)NC=C1 | 5 |
C(C1=CC=CC=C1)OC([C@H](O)[C@@H](O)C(=O)OCC1=CC=CC=C1)=O>>C(C=O)(=O)OCC1=CC=CC=C1 | 5 |
C1COCCN1.BrC1=C(C=O)C=C(C=C1)C(F)(F)F>>BrC1=C(CN2CCOCC2)C=C(C=C1)C(F)(F)F | 5 |
N1=CC=C2N1N=CC(=C2)C(=O)[O-].[Li+].FC(C(=O)O)(F)F.NCC1CC12CCN(CC2)C(=O)OC(C)(C)C>N(C)(C)C=O.O.CCN(CC)CC.n1nn(O)c2ccccc12.CCN=C=NCCCN(C)C>N1=CC(=C2N1N=CC=C2)C(=O)NCC2CC21CCN(CC1)C(=O)OC(C)(C)C | 3 |
C(C)(=O)C1=C(C=C(C=[N+]1[O-])C(=O)OC)F>P(=O)(Cl)(Cl)Cl>C(C)(=O)C1=C(C=C(C(=N1)Cl)C(=O)OC)F | 3 |
C(C)(C)(C)C=1NC2=CC(=CC=C2C1CC(OC)OC)[N+](=O)[O-]>ClCCl.C(=O)(C(F)(F)F)O>C(C)(C)(C)C=1NC2=CC(=CC=C2C1CC=O)[N+](=O)[O-] | 3 |
[CH2:1]([SnH:5]([CH2:10][CH2:11][CH2:12][CH3:13])[CH2:6][CH2:7][CH2:8][CH3:9])[CH2:2][CH2:3][CH3:4].[CH2:14]([O:16][Si:17]([O:23][CH2:24][CH3:25])([O:20][CH2:21][CH3:22])[C:18]#[CH:19])[CH3:15]>CC(N=NC(C#N)(C)C)(C#N)C>[CH2:21]([O:20][Si:17]([O:23][CH2:24][CH3:25])([O:16][CH2:14][CH3:15])/[CH:18]=[CH:19]/[Sn:5]([CH2:1][CH2:2][CH2:3][CH3:4])([CH2:6][CH2:7][CH2:8][CH3:9])[CH2:10][CH2:11][CH2:12][CH3:13])[CH3:22] | 1 |
C(=[C:8]1/[CH2:9][CH2:10][C:11]2[C:12]/1=[N:13][CH:14]=[CH:15][CH:16]=2)/C1C=CC=CC=1.[OH:17]OS([O-])=O.[K+].C([O-])(O)=O.[Na+]>CC#N.O.CC#N>[N:13]1[CH:14]=[CH:15][CH:16]=[C:11]2[CH2:10][CH2:9][C:8](=[O:17])[C:12]=12 | 2 |
[CH2:1]([N:8]([CH2:12][Si](C)(C)C)[CH2:9]OC)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH3:17][O:18][C:19]1[CH:24]=[CH:23][C:22]([C:25](=[O:29])/[CH:26]=[CH:27]/[CH3:28])=[CH:21][CH:20]=1.C(O)(C(F)(F)F)=O>C1(C)C=CC=CC=1>[CH2:1]([N:8]1[CH2:9][C@@H:27]([CH3:28])[C@H:26]([C:25](=[O:29])[C:22]2[CH:21]=[CH:20][C:19]([O:18][CH3:17])=[CH:24][CH:23]=2)[CH2:12]1)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 2 |
[CH3:1][O:2][C:3]1[CH:8]=[C:7]([O:9][CH3:10])[N:6]=[C:5]([CH2:11][CH2:12][C:13](OC)=[O:14])[N:4]=1.[CH2:17]([O:19][C:20]1[CH:25]=[C:24]([O:26][CH3:27])[N:23]=[C:22]([CH2:28][CH2:29][C:30](OC)=[O:31])[N:21]=1)[CH3:18].CC(C[AlH]CC(C)C)C.Cl>C1COCC1.C(Cl)Cl>[CH3:1][O:2][C:3]1[CH:8]=[C:7]([O:9][CH3:10])[N:6]=[C:5]([CH2:11][CH2:12][CH2:13][OH:14])[N:4]=1.[CH2:17]([O:19][C:20]1[CH:25]=[C:24]([O:26][CH3:27])[N:23]=[C:22]([CH2:28][CH2:29][CH2:30][OH:31])[N:21]=1)[CH3:18] | 1 |
F[C:2]1[CH:7]=[CH:6][C:5](N2C3C(=CC(F)=C(C4CCC(N)C4)N=3)C(=O)C(C(O)=O)=C2)=[CH:4][CH:3]=1.[CH:29]1([N:32]2[C:41]3[C:36](=[CH:37][C:38]([F:48])=[C:39]([CH:42]4[CH2:46][CH2:45][CH:44]([NH2:47])[CH2:43]4)[N:40]=3)[C:35](=[O:49])[C:34]([C:50]([OH:52])=[O:51])=[CH:33]2)[CH2:31][CH2:30]1.C(=O)C1C=CC=CC=1>C1(C)C=CC=CC=1>[CH:29]1([N:32]2[C:41]3[C:36](=[CH:37][C:38]([F:48])=[C:39]([CH:42]4[CH2:46][CH2:45][C:44](=[N:47][C:2]5[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=5)[CH2:43]4)[N:40]=3)[C:35](=[O:49])[C:34]([C:50]([OH:52])=[O:51])=[CH:33]2)[CH2:30][CH2:31]1 | 1 |
CC=1C=C(C=CC1)B(O)O.ClC=1C(=NC=CN1)N1CC(C1)C1=NC2=CC=CC=C2C=C1>>C1(=CC(=CC=C1)C=1C(=NC=CN1)N1CC(C1)C1=NC2=CC=CC=C2C=C1)C | 5 |
C1(CC1)[C@]12CC=3C=NN(C3C=C1CC[C@@]2(O)C#CC2=C(C=CC=C2)C(C(=O)OC)O)C2=CC=C(C=C2)F>>C1(CC1)[C@]12CC=3C=NN(C3C=C1CC[C@]2(O)CCC2=C(C=CC=C2)C(C(=O)OC)O)C2=CC=C(C=C2)F | 5 |
[NH2:1][C:2]1[C:3]([C:27]([NH2:29])=[O:28])=[N:4][C:5]([CH:8]2[CH2:13][CH2:12][N:11]([C:14]3[N:19]=[C:18](Cl)[N:17]=[C:16]([O:21][C@H:22]([CH3:26])[CH2:23][O:24][CH3:25])[N:15]=3)[CH2:10][CH2:9]2)=[CH:6][CH:7]=1.[F:30][C:31]([F:35])([F:34])[CH2:32][NH2:33].CCN(C(C)C)C(C)C.C[C:46](N(C)C)=[O:47]>CC([O-])=O.CC([O-])=O.[Pd+2]>[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]2[CH2:13][CH2:12][N:11]([C:14]3[N:15]=[C:16]([O:21][C@H:22]([CH3:26])[CH2:23][O:24][CH3:25])[N:17]=[C:18]([C:46]([NH:33][CH2:32][C:31]([F:35])([F:34])[F:30])=[O:47])[N:19]=3)[CH2:10][CH2:9]2)=[N:4][C:3]=1[C:27](=[O:28])[NH2:29] | 2 |
[CH3:1][C:2]1([CH3:19])[CH2:11][C:10](=[O:12])[C:9]2[C:4](=[CH:5][CH:6]=[C:7]([C:13]#[C:14][Si](C)(C)C)[CH:8]=2)[O:3]1.C([O-])([O-])=O.[K+].[K+]>CO.CCOC(C)=O>[CH3:1][C:2]1([CH3:19])[CH2:11][C:10](=[O:12])[C:9]2[C:4](=[CH:5][CH:6]=[C:7]([C:13]#[CH:14])[CH:8]=2)[O:3]1 | 1 |
Cl.[CH3:2][O:3][C:4]([C:6]1[N:7]=[C:8]([C:16]([F:19])([F:18])[F:17])[N:9]2[CH2:14][CH2:13][NH:12][CH:11]([CH3:15])[C:10]=12)=[O:5].[C:20]([O:24][C:25]([NH:27][C@H:28]([CH2:33][C:34]1[CH:39]=[C:38]([F:40])[C:37]([F:41])=[CH:36][C:35]=1[F:42])[CH2:29][C:30](O)=[O:31])=[O:26])([CH3:23])([CH3:22])[CH3:21].C(N(CC)CC)C.O=C1N(P(Cl)(N2CCOC2=O)=O)CCO1>ClCCl>[CH3:2][O:3][C:4]([C:6]1[N:7]=[C:8]([C:16]([F:19])([F:18])[F:17])[N:9]2[CH2:14][CH2:13][N:12]([C:30](=[O:31])[CH2:29][CH:28]([NH:27][C:25]([O:24][C:20]([CH3:22])([CH3:21])[CH3:23])=[O:26])[CH2:33][C:34]3[CH:39]=[C:38]([F:40])[C:37]([F:41])=[CH:36][C:35]=3[F:42])[C@H:11]([CH3:15])[C:10]=12)=[O:5] | 1 |
ICC1CCCC1.ClC1=CC=C(C=N1)CC#N>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[K+].O1CCCC1.CN(P(=O)(N(C)C)N(C)C)C>ClC1=CC=C(C=N1)C(C#N)CC1CCCC1 | 3 |
C(N)(=O)C1=CC=CC=2N=C(OC21)C2(N(CCC2)C(=O)OCC2=CC=CC=C2)C>>CC1(NCCC1)C=1OC2=C(N1)C=CC=C2C(=O)N | 5 |
OS(O)(=O)=O.[NH:6]1[C:14]2[C:9](=[CH:10][CH:11]=[CH:12][CH:13]=2)[C:8]([CH2:15][CH2:16][CH2:17][C:18]([OH:20])=[O:19])=[CH:7]1.O.[CH3:22]O>>[NH:6]1[C:14]2[C:9](=[CH:10][CH:11]=[CH:12][CH:13]=2)[C:8]([CH2:15][CH2:16][CH2:17][C:18]([O:20][CH3:22])=[O:19])=[CH:7]1 | 2 |
NC=1C2=C(OC1C(=O)OCC)C=CC=C2>COC(N(C)C)OC>C(C)OC(=O)C=1OC2=C(C1N=CN(C)C)C=CC=C2 | 3 |
OC1=CC=C(C=C1)CC(C(=O)OCC)(OC1=CC=CC=C1)C.CC1=C(N=C(O1)C1=CC(=CC=C1)C=1SC=CC1)CCOS(=O)(=O)C1=CC=C(C=C1)C>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>C(C)OC(C(CC1=CC=C(C=C1)OCCC=1N=C(OC1C)C1=CC(=CC=C1)C=1SC=CC1)(OC1=CC=CC=C1)C)=O | 3 |
O=C1N(CCC(N1)=O)C=1C=C(C(=O)OC2=C(C(=C(C(=C2F)F)F)F)F)C=CC1C.C1CNCCC12CCC(CC2)CN2CCC(CC2)N2N=C(C(=C2)NC(=O)C=2C=NN1C2N=C(C=C1)N1C[C@H](CCC1)O)C(F)F>O.CS(=O)C.C(C)(C)N(C(C)C)CC>FC(C1=NN(C=C1NC(=O)C=1C=NN2C1N=C(C=C2)N2C[C@H](CCC2)O)C2CCN(CC2)CC2CCC1(CCN(CC1)C(C1=CC(=C(C=C1)C)N1C(NC(CC1)=O)=O)=O)CC2)F | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.BrC=1C=CC(=C(C1)S(=O)(=O)NCCCl)O>C1(=CC=NC=C1)N(C)C.ClCCl.CCN(CC)CC>C(C)(C)(C)OC(N(CCCl)S(=O)(=O)C1=C(C=CC(=C1)Br)O)=O | 3 |
IC1=CC=CC=C1.C(C1=CC=CC=C1)[C@H]1NC(OC1)=O>>C(C1=CC=CC=C1)[C@H]1N(C(OC1)=O)C1=CC=CC=C1 | 5 |
C(C)OC=1C=C(C=CC1OCC)C(CCC(=O)[O-])(OC)OC.[K+].BrC=1C=C2C(=CC(=NC2=CC1)N)C1=CC=C(C=C1)C>>BrC=1C=C2C(=CC(=NC2=CC1)NC(CCC(=O)C1=CC(=C(C=C1)OCC)OCC)=O)C1=CC=C(C=C1)C | 5 |
BrC1C(CC2(O)C3C(=CC=C(C)C=3)N(CCC(C)C)C2=O)=NC=CC=1.[CH3:26][C:27]1[CH:28]=[C:29]2[C:33](=[CH:34][CH:35]=1)[N:32]([CH2:36][CH2:37][C:38]1[CH:43]=[CH:42][CH:41]=[CH:40][CH:39]=1)[C:31](=[O:44])[C:30]2=[O:45].[CH3:46][O:47][C:48]1[CH:49]=[CH:50][C:51]([CH3:54])=[N:52][CH:53]=1>>[OH:45][C:30]1([CH2:54][C:51]2[CH:50]=[CH:49][C:48]([O:47][CH3:46])=[CH:53][N:52]=2)[C:29]2[C:33](=[CH:34][CH:35]=[C:27]([CH3:26])[CH:28]=2)[N:32]([CH2:36][CH2:37][C:38]2[CH:39]=[CH:40][CH:41]=[CH:42][CH:43]=2)[C:31]1=[O:44] | 1 |
C1(CCCCC1)NC(N(CC1=CC=C(C=C1)C)CCO[C@H]1C[C@H](CCC1)CCC(C(=O)OC(C)(C)C)CC)=O>>C1(CCCCC1)NC(N(CC1=CC=C(C=C1)C)CCO[C@H]1C[C@H](CCC1)CCC(C(=O)O)CC)=O | 5 |
C1(C2N=C([C:9]([NH2:11])=[NH:10])SC=2)CC1.Br[C:13]1[S:14][CH:15]=[C:16]([C:18]([F:21])([F:20])[F:19])[N:17]=1.BrCC(C1CC1)=O>>[F:19][C:18]([F:21])([F:20])[C:16]1[N:17]=[C:13]([C:9]([NH2:11])=[NH:10])[S:14][CH:15]=1 | 1 |
[C:1]([NH:9][C:10]1[N:18]=[CH:17][N:16]=[C:15]2[C:11]=1[N:12]=[CH:13][N:14]2[C@@H:19]1[O:23][C@H:22]([CH2:24][CH2:25][C:26]([O:28][CH3:29])=[O:27])[CH2:21][C@H:20]1[OH:30])(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.CCN(C(C)C)C(C)C.[CH:40]([N:43]([CH:51]([CH3:53])[CH3:52])[P:44](Cl)[O:45][CH2:46][CH2:47][C:48]#[N:49])([CH3:42])[CH3:41]>C(Cl)Cl>[C:1]([NH:9][C:10]1[N:18]=[CH:17][N:16]=[C:15]2[C:11]=1[N:12]=[CH:13][N:14]2[C@@H:19]1[O:23][C@H:22]([CH2:24][CH2:25][C:26]([O:28][CH3:29])=[O:27])[CH2:21][C@H:20]1[O:30][P:44]([O:45][CH2:46][CH2:47][C:48]#[N:49])[N:43]([CH:40]([CH3:41])[CH3:42])[CH:51]([CH3:52])[CH3:53])(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 2 |
COC1=C(C=2N=C(C(=NC2C=C1)NCCC)C1=CC=CC=C1)C(=O)OC>>OC1=C(C=2N=C(C(=NC2C=C1)NCCC)C1=CC=CC=C1)C(=O)O | 5 |
C(C)OC(CC1=CC=C(C=C1)N1N=C(C=C1NC(=O)NC1=CC=CC2=CC=CC=C12)C(C)(C)C)=O>CO[H].N>C(C)(C)(C)C1=NN(C(=C1)NC(=O)NC1=CC=CC2=CC=CC=C12)C1=CC=C(C=C1)CC(=O)N | 3 |
C(C)(C)NNC(=O)C=1OC=CC1C.FC=1C=CC(=C(C1)C1=C(C=CC=C1)OC(F)(F)F)OCC(=O)O>>FC=1C=CC(=C(C1)C1=C(C=CC=C1)OC(F)(F)F)OCC(=O)N(NC(=O)C=1OC=CC1C)C(C)C | 5 |
[H][H].[NH3:3].[CH2:4]([O:8][C:9]1[N:17]=[C:16]2[C:12]([N:13]=[CH:14][N:15]2[C@@H:18]2[O:30][C@H:29]([CH2:31][O:32]C(=O)C)[C@@H:24]([O:25]C(=O)C)[C@H:19]2[O:20]C(=O)C)=[C:11](Cl)[N:10]=1)[CH2:5][CH2:6][CH3:7]>>[CH2:4]([O:8][C:9]1[N:10]=[C:11]([NH2:3])[C:12]2[N:13]=[CH:14][N:15]([C:16]=2[N:17]=1)[C@@H:18]1[O:30][C@H:29]([CH2:31][OH:32])[C@@H:24]([OH:25])[C@H:19]1[OH:20])[CH2:5][CH2:6][CH3:7] | 1 |
CN1CCNCC1.O1C(COC2=C(C=C3C(=NC=NC3=C2)OC=2C=C3C=C(NC3=CC2)C)OC)C1>>OC(COC1=C(C=C2C(=NC=NC2=C1)OC=1C=C2C=C(NC2=CC1)C)OC)CN1CCN(CC1)C | 5 |
Cl[CH]C.C(C1=CC=CC=C1)N1CC2=C(CC1)OC(=N2)C2=CC(=C(C=C2)F)F>C(C)(=O)OCC.ClCCCl>Cl.FC=1C=C(C=CC1F)C=1OC2=C(CNCC2)N1 | 3 |
[Cl-].COC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.O=C1CCCN(CCC1)C(=O)OC(C)(C)C>CC(C)(C)[O-].[K+].C1CCCO1.Cl.C(O)([O-])=O.[Na+]>N[C@@H](C)C1CCCN(CCC1)C(=O)OC(C)(C)C | 3 |
C1(=CC=CC=C1)C1=CC=C(S1)C(=O)O.CC1=NC=C(N1C)C=1C=C(C=CC1)N>>CC1=NC=C(N1C)C=1C=C(C=CC1)NC(=O)C=1SC(=CC1)C1=CC=CC=C1 | 5 |
OC1CN(CCC1OC1=CC=CC=C1)C(=O)OC(C)(C)C>>Cl.O(C1=CC=CC=C1)C1C(CNCC1)O | 5 |
COC(=O)C1=NC(=NC(=C1)Cl)Cl.N1(CC(NCC1)C(=O)OC)C(=O)OC(C)(C)C>>ClC1=NC(=CC(=N1)N1C(CN(CC1)C(=O)OC(C)(C)C)C(=O)OC)C(=O)OC | 5 |
C(N(C(C)C)CC)(C)C.[NH2:10][C@@H:11]1[CH2:17][CH2:16][C@@H:15]([C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)[CH2:14][N:13]([CH2:24][CH:25]2[CH2:27][CH2:26]2)[C:12]1=[O:28].[O:29]=[C:30]1[N:39]([CH:40]2[CH2:45][CH2:44][N:43]([C:46](Cl)=[O:47])[CH2:42][CH2:41]2)[CH2:38][C:37]2[C:32](=[CH:33][CH:34]=[CH:35][CH:36]=2)[NH:31]1>ClCCCl>[CH:25]1([CH2:24][N:13]2[CH2:14][C@H:15]([C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=3)[CH2:16][CH2:17][C@@H:11]([NH:10][C:46]([N:43]3[CH2:44][CH2:45][CH:40]([N:39]4[CH2:38][C:37]5[C:32](=[CH:33][CH:34]=[CH:35][CH:36]=5)[NH:31][C:30]4=[O:29])[CH2:41][CH2:42]3)=[O:47])[C:12]2=[O:28])[CH2:27][CH2:26]1 | 1 |
[CH2:1]([C:4]1[S:5][C:6]([CH:9]=O)=[CH:7][N:8]=1)[CH2:2][CH3:3].C(OP(/[C:19](=[CH:25]\[CH3:26])/[C:20]([O:22][CH2:23][CH3:24])=[O:21])(OCC)=O)C>>[CH2:1]([C:4]1[S:5][C:6]([CH:9]=[CH:26][CH:25]=[CH:19][C:20]([O:22][CH2:23][CH3:24])=[O:21])=[CH:7][N:8]=1)[CH2:2][CH3:3] | 1 |
C1(=CC=CC=C1)C=O.C(C)(C)(C)OC(=O)N1CCCC1>C(C)OCC.CN(CCN(C)C)C.C(C)(CC)[Li]>C(=O)(OC(C)(C)C)N1C(CCC1)C(C1=CC=CC=C1)O | 3 |
OC=1C=CC=C2C=C(C(OC12)=O)C(=O)O.O=C1C=COC2=CC=C(C=C12)C=1C=C(C=CC1)N>>O=C1C=COC2=CC=C(C=C12)C=1C=C(C=CC1)NC(=O)C=1C(OC2=C(C=CC=C2C1)O)=O | 5 |
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