smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(C)(C)[Si](N1C=C(C=C1)/C=C/C(=O)OCCCC)(C(C)C)C(C)C>C1CCCO1.O.O.O.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>N1C=C(C=C1)/C=C/C(=O)OCCCC | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([NH:9][C:10]2[C:19]3[C:14](=[CH:15][CH:16]=[C:17]([NH:20][CH2:21][C:22]4[N:23]([CH2:27][C:28]([NH:30][CH:31]5[CH2:36][CH2:35][N:34](C(OC(C)(C)C)=O)[CH2:33][CH2:32]5)=[O:29])[CH:24]=[CH:25][N:26]=4)[CH:18]=3)[N:13]=[CH:12][C:11]=2[C:44]#[N:45])[CH:5]=[CH:6][C:7]=1[F:8].FC(F)(F)C(O)=O>ClC(Cl)C>[C... | 2 |
COC(C1=CN=C(C(=C1)[N+](=O)[O-])N)=O>CO[H].[HH].[Ni]>COC(C1=CN=C(C(=C1)N)N)=O | 3 |
[CH2:1]([O:8][C:9]([NH:11][CH:12]([C:18]([O:20][CH2:21][CH3:22])=[O:19])[C:13]([O:15][CH2:16][CH3:17])=[O:14])=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[H-].[Na+].Br[CH2:26][C:27]([O:29][CH2:30][C:31]1[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=1)=[O:28].Cl>CN(C=O)C>[CH2:1]([O:8][C:9]([NH:11][C:12]([CH2:26][C:27]([O:2... | 1 |
O1CCCC1.C(Cl)(=O)C(Cl)=O.[CH2:12]([O:16][C:17]1[C:26]2[C:21](=[CH:22][C:23]([Cl:28])=[C:24]([Cl:27])[CH:25]=2)[C:20](=[O:29])[N:19]([CH3:30])[C:18]=1[CH2:31][OH:32])[CH2:13][CH2:14][CH3:15].C(N(CC)CC)C>O.CS(C)=O>[CH2:12]([O:16][C:17]1[C:26]2[C:21](=[CH:22][C:23]([Cl:28])=[C:24]([Cl:27])[CH:25]=2)[C:20](=[O:29])[N:19]([... | 1 |
COC1OC(C=C1)OC.C(C)OC(=O)NC=1C=C(C=CC1I)C(F)(F)F>N(C)(C)C=O.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C(C)(C)N(C(C)C)CC.[Cl-].C(C1=CC=CC=C1)[N+](CC)(CC)CC>FC(C1=CC=C2C(=CNC2=C1)CC(=O)O)(F)F | 3 |
BrC1=CC=C(OC2CCC3(OCCO3)CC2)C=C1.O(C1=CC=CC=C1)C1=CC=C(C=C1)C1=NNC=C1C(=O)OCC>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>C1(CCCC1)N1N=C(C(=C1)C(=O)OCC)C1=CC=C(C=C1)OC1=CC=CC=C1 | 3 |
[Cl:1][C:2]1[C:10]([F:11])=[CH:9][CH:8]=[CH:7][C:3]=1[C:4]([OH:6])=O.[O:12]1[CH2:17][CH2:16][CH:15]([CH:18]([C:21]2[CH:22]=[N:23][C:24]([C:27]([F:30])([F:29])[F:28])=[N:25][CH:26]=2)[CH2:19][NH2:20])[CH2:14][CH2:13]1>>[Cl:1][C:2]1[C:10]([F:11])=[CH:9][CH:8]=[CH:7][C:3]=1[C:4]([NH:20][CH2:19][CH:18]([CH:15]1[CH2:16][CH2... | 1 |
[CH2:1]([C@@H:8]1[CH2:12][O:11][C:10](=[O:13])[N:9]1[C:14](=[O:19])[CH2:15][CH2:16][CH:17]=[CH2:18])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[Li+].C[Si]([N-][Si](C)(C)C)(C)C.Br[CH2:31][C:32]1[C:37]([Cl:38])=[CH:36][C:35]([O:39][CH2:40][C:41]2[CH:46]=[CH:45][CH:44]=[CH:43][CH:42]=2)=[CH:34][C:33]=1[Cl:47]>C1COCC1>[CH2:1... | 1 |
FC1=C(C=CC(=C1)S(=O)(=O)C)N[C@@H]1C(N(CCC1)C1CCN(CC1)C(=O)OC(C)(C)C)=O>ClCCl.C(=O)(C(F)(F)F)O>FC1=C(C=CC(=C1)S(=O)(=O)C)N[C@@H]1C(N(CCC1)C1CCNCC1)=O | 3 |
N1C=C(C2=CC=CC=C12)C(=O)O>>N1C=C(C2=CC=CC=C12)C(=O)OC | 5 |
C(C)OC(=O)C1=NC2=CC=CC=C2C(=C1)O>P(=O)(Cl)(Cl)Cl>C(C)OC(=O)C1=NC2=CC=CC=C2C(=C1)Cl | 3 |
C(C1=CC=CC=C1)Br.ClC1=C(C(=O)O)C=C(C=N1)Cl>CC#N.C([O-])([O-])=O.[K+].[K+]>ClC=1C=NC(=C(C(=O)O)C1)CCOC | 3 |
C(C)C1=CC=C(C=C1)B(O)O.ClC1=CC(N(C=N1)C1=CC(=C(C=C1)OCC(C)(C)O)OC)=O>N(C)(C)C=O.ClCCl.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>C(C)C1=CC=C(C=C1)C1=CC(N(C=N1)C1=CC(=C(C=C1)OCC(C)(C)O)OC)=O | 3 |
[CH3:1][N:2]1[CH:6]=[C:5]([C:7](O)=O)[N:4]=[CH:3]1.C(Cl)CCl.C1C=CC2N(O)N=NC=2C=1.[NH:24]([C:26]1[N:35]=[CH:34][CH:33]=[C:32]2[C:27]=1[CH:28]=[C:29]([C:58]1[CH:63]=[CH:62][CH:61]=[CH:60][CH:59]=1)[C:30]([C:36]1[CH:41]=[CH:40][C:39]([C:42]3([NH:50][C:51](=[O:57])[O:52][C:53]([CH3:56])([CH3:55])[CH3:54])[CH2:45][C:44]4([O... | 2 |
C1COCC1.C([O:8][C:9](=O)[C:10]([C:13]1[CH:14]=[N:15][C:16]([NH:22][C:23]([C:25]2[NH:26][C:27]3[C:32]([CH:33]=2)=[CH:31][C:30]([Cl:34])=[CH:29][CH:28]=3)=[O:24])=[C:17]([O:19][CH2:20][CH3:21])[CH:18]=1)([OH:12])[CH3:11])C.[BH4-].[Li+]>[Cl-].[Na+].O>[OH:12][C:10]([C:13]1[CH:18]=[C:17]([O:19][CH2:20][CH3:21])[C:16]([NH:22... | 1 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:11]([CH:14]([CH3:16])[CH3:15])[C:12]#[N:13])[CH:6]=[CH:7][C:8]=1[O:9][CH3:10].C[Si]([N-][Si](C)(C)C)(C)C.[Na+].[Br:27][CH2:28][CH2:29][CH2:30]Br.[NH4+].[Cl-]>O1CCCC1>[Br:27][CH2:28][CH2:29][CH2:30][C:11]([C:5]1[CH:6]=[CH:7][C:8]([O:9][CH3:10])=[C:3]([O:2][CH3:1])[CH:4]=1)([CH:14]([CH3... | 1 |
Br[C:2]1[CH:37]=[CH:36][C:5]2[N:6]([C:9]3[S:13][C:12]([C:14]([O:16][CH3:17])=[O:15])=[C:11]([O:18][C@@H:19]([C:21]4[CH:26]=[CH:25][CH:24]=[C:23]([O:27][Si](C(C)(C)C)(C)C)[C:22]=4[Cl:35])[CH3:20])[CH:10]=3)[CH:7]=[N:8][C:4]=2[CH:3]=1.[CH3:38][C:39]1[CH:44]=[C:43](B(O)O)[CH:42]=[CH:41][N:40]=1>>[Cl:35][C:22]1[C:23]([OH:2... | 1 |
CO.[BH4-].[Na+].[C:5]1([C:11]2[C:23]([C:24]([C:26]3[N:31]=[C:30]([C:32]([O:34][CH3:35])=[O:33])[CH:29]=[CH:28][CH:27]=3)=[O:25])=[C:14]3[CH:15]=[CH:16][C:17]([C:19]([F:22])([F:21])[F:20])=[CH:18][N:13]3[N:12]=2)[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1.[Cl-].[NH4+]>ClCCl>[C:5]1([C:11]2[C:23]([CH:24]([OH:25])[C:26]3[N:31]=[C:... | 2 |
[Si:1]([O:8][C@H:9]1[CH2:18][C:17]2([CH2:21][CH2:20][CH2:19]2)[CH2:16][C:15]2[N:14]=[C:13]([CH:22]([CH3:24])[CH3:23])[C:12](C=O)=[C:11]([I:27])[C:10]1=2)([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2].I[C:29]1[CH:34]=[CH:33][C:32]([S:35]([F:40])([F:39])([F:38])([F:37])[F:36])=[CH:31][CH:30]=1.C([Mg]Cl)(C)C.[Cl-].[Li+]... | 1 |
C(OCC[Si](C)(C)C)Cl.BrC=1C=CC2=C(NC(=N2)CN(C)C)C1>N(C)(C)C=O.[H-].[Na+]>BrC=1C=CC2=C(N(C(=N2)CN(C)C)COCC[Si](C)(C)C)C1 | 3 |
[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]([CH3:12])([CH3:11])[C:9]#[N:10].[OH-:13].[Na+].OO>S([O-])(O)(=O)=O.C([N+](CCCC)(CCCC)CCCC)CCC.C1(C)C=CC=CC=1>[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]([CH3:12])([CH3:11])[C:9]([NH2:10])=[O:13] | 1 |
B(Cl)(Cl)Cl.[CH:5]1[C:14]2[C:9](=[CH:10][CH:11]=[CH:12][CH:13]=2)[CH:8]=[CH:7][C:6]=1[OH:15].[Cl-].[Al+3].[Cl-].[Cl-].[OH-].[Na+].Cl.CS[C:25]#[N:26]>ClCCCl>[C:25]([C:5]1[C:14]2[C:9](=[CH:10][CH:11]=[CH:12][CH:13]=2)[CH:8]=[CH:7][C:6]=1[OH:15])#[N:26] | 1 |
BrC1=CC(=C(OCC(=O)OCC)C=C1)OCC>O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2].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)(=O)[O-].[K+]>C(C)OC1=C(OCC(=O)OCC)C=CC(=C1)B1OC(C(O... | 3 |
ClC=1C=C2C(=NC1)N(C=C2C2=NC=C(C(=N2)N[C@@H]2[C@H](CCCC2)NC(OC)=O)F)S(=O)(=O)C2=CC=C(C)C=C2>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>ClC=1C=C2C(=NC1)NC=C2C2=NC=C(C(=N2)N[C@@H]2[C@H](CCCC2)NC)F | 3 |
C[S-].[Na+].ClCC=1N=C2N(C=CC=C2NCC2=C(C=CC=C2C)C)C1C>CC#N>CC1=C(CNC=2C=3N(C=CC2)C(=C(N3)CSC)C)C(=CC=C1)C | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([Cl:8])[C:3]=1[C:9]1[NH:14][C:13](=[O:15])[CH:12]=[C:11]([OH:16])[CH:10]=1.[N+:17]([O-])([OH:19])=[O:18]>CC(O)=O>[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([Cl:8])[C:3]=1[C:9]1[NH:14][C:13](=[O:15])[C:12]([N+:17]([O-:19])=[O:18])=[C:11]([OH:16])[CH:10]=1 | 1 |
[Cl:1][C:2]1[CH:9]=[CH:8][C:5]([CH:6]=O)=[CH:4][CH:3]=1.[CH2:10]([O:12][C:13](=[O:25])[CH2:14][S:15][C:16]1[N:21]=[C:20]([Cl:22])[CH:19]=[C:18]([NH:23][NH2:24])[N:17]=1)[CH3:11]>C(O)(=O)C>[CH2:10]([O:12][C:13](=[O:25])[CH2:14][S:15][C:16]1[N:21]=[C:20]([Cl:22])[CH:19]=[C:18]([NH:23][N:24]=[CH:6][C:5]2[CH:8]=[CH:9][C:2]... | 1 |
[CH3:1][O:2][C:3]1[CH:8]=[C:7]([N+:9]([O-])=O)[CH:6]=[CH:5][C:4]=1[C:12]1[O:16][CH:15]=[N:14][CH:13]=1.C(Cl)(Cl)Cl>CCO.[Pd]>[CH3:1][O:2][C:3]1[CH:8]=[C:7]([CH:6]=[CH:5][C:4]=1[C:12]1[O:16][CH:15]=[N:14][CH:13]=1)[NH2:9] | 2 |
[Br:1][C:2]1[CH:11]=[C:10]2[C:5]([CH2:6][O:7][C:8]2=[O:9])=[CH:4][CH:3]=1.[Br:12]N1C(=O)CCC1=O.N(CCCC#N)=NCCCC#N>C(Cl)(Cl)(Cl)Cl>[Br:12][CH:6]1[C:5]2[C:10](=[CH:11][C:2]([Br:1])=[CH:3][CH:4]=2)[C:8](=[O:9])[O:7]1 | 1 |
C1(CCCC1)C(=O)N1[C@H](CN(CC1)CC1=C(C(=CC(=C1)F)[N+](=O)[O-])C)C>>NC=1C(=C(CN2C[C@@H](N(CC2)C(=O)C2CCCC2)C)C=C(C1)F)C | 5 |
[CH3:1][C:2](C)([O-])C.[K+].[Br:7][C:8]1[C:13]([CH3:14])=[CH:12][CH:11]=[CH:10][C:9]=1[NH:15][CH2:16][CH2:17][OH:18].ClCC(OCC)=[O:22]>C1COCC1>[Br:7][C:8]1[C:13]([CH3:14])=[CH:12][CH:11]=[CH:10][C:9]=1[N:15]1[CH2:2][CH2:1][O:18][CH2:17][C:16]1=[O:22] | 1 |
ClC1=CC=CC(=N1)C(=O)OC.C(CCC)OC1=CC=CC(=N1)C(=O)O>ClS(Cl)=O.C(CCC)O.C[Si](C)(C)[N-][Si](C)(C)C.[Na+]>C(CCC)OC1=CC=CC(=N1)C(=O)OC | 3 |
ClC=1C=C2C=3C=C(C=CC3C3=C(NC(=N3)C3=C(C=CC=C3F)Cl)C2=CC1)C#N>>ClC=1C=C2C=3C=C(C=CC3C3=C(NC(=N3)C3=C(C=CC=C3F)Cl)C2=CC1)C1=NN=NN1 | 5 |
BrCC(=O)OCC.C(C)(C)OC1=CC=CC=C1>N(C)(C)C=O.O.CCO[H].Cl.[OH-].[Na+].C([O-])([O-])=O.[K+].[K+]>C(C)(C)C1=C(OCC(=O)O)C=CC=C1 | 3 |
FC(F)(F)S(O[C:7]1[C:8]([CH3:36])([CH3:35])[C@H:9]2[C@:22]([CH3:25])([CH2:23][CH:24]=1)[C@@H:21]1[C@:12]([CH3:34])([C@@:13]3([CH3:33])[C@H:18]([CH2:19][CH2:20]1)[C@H:17]1[C@H:26]([C:29]([CH3:31])=[CH2:30])[CH2:27][CH2:28][C@:16]1([NH2:32])[CH2:15][CH2:14]3)[CH2:11][CH2:10]2)(=O)=O.CC1(C)C(C)(C)OB([C:47]2[CH2:51][CH2:50]... | 1 |
ClC1=CC=C(C(=O)CCC(=O)O)C=C1>O.Cl.[OH-].[K+].NN.C(CO)O>ClC1=CC=C(C=C1)C(C(=O)O)CC | 3 |
OC1=CC=C(C=C1)CCN1C=CC2=CC=CC(=C12)O[C@H]1[C@H](OC(C(C)(C)C)=O)[C@@H](OC(C(C)(C)C)=O)[C@H](OC(C(C)(C)C)=O)[C@H](O1)COC(C(C)(C)C)=O>O.CO[H].O[Li].O>[C@@H]1([C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)OC=1C=CC=C2C=CN(C12)CCC1=CC=C(C=C1)O | 3 |
BrC1=C(C(=CC=C1OC1=CC(=CC(=C1)F)Cl)S(=O)(=O)C(F)F)CN>ClCCl.CCN(CC)CC.C(C)(=O)OC(C)=O>BrC1=C(CNC(C)=O)C(=CC=C1OC1=CC(=CC(=C1)F)Cl)S(=O)(=O)C(F)F | 3 |
CI.CC(C(=O)N[C@H]1COC2(C1)CCN(CC2)C(=O)OC(C)(C)C)(C)C>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+].C(C)(=O)OCC.[Cl-].[NH4+]>CC(C(=O)N([C@H]1COC2(C1)CCN(CC2)C(=O)OC(C)(C)C)C)(C)C | 3 |
ClC(=O)OC.C1(=CC1)CCCCCCC(=O)O>C(C)OCC.CCN(CC)CC.C(C)NCC>C(C)N(C(CCCCCCC1=CC1)=O)CC | 3 |
C(C)(=O)NC(C)C=1C=CC(=C(C1)NC(NC=1C=C(C(=O)NC2=CC=C(C=C2)Br)C=CC1NC)=S)Cl>N(C)(C)C=O.C(C)(C)N=C=NC(C)C>C(C)(=O)NC(C)C=1C=CC(=C(C1)NC1=NC2=C(N1C)C=CC(=C2)C(=O)NC2=CC=C(C=C2)Br)Cl | 3 |
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.OC1CCNCC1.NC=1C=CC=2N(C3=CC=C(C=C3C2C1C)F)C(C)C>>OC1CCN(CC1)C(=O)NC=1C=CC=2N(C3=CC=C(C=C3C2C1C)F)C(C)C | 5 |
FC(C(=O)NNC(=O)C=1C=NC(=NC1)NC1(CCC1)C1=C(C=CC(=C1)F)F)F>O.C1CCCO1.CC[N+](CC)(CC)S(=O)(=O)N=C([O-])OC>FC(C1=NN=C(O1)C=1C=NC(=NC1)NC1(CCC1)C1=C(C=CC(=C1)F)F)F | 3 |
FC(F)(F)C1C=C(C(C)(C)[C:14]([N:16](C)[C:17]2[CH:18]=[N:19][C:20](N3CCN(C)CC3)=[CH:21][C:22]=2[C:23]2[C:24]([CH3:29])=[N:25][CH:26]=[CH:27][CH:28]=2)=[O:15])C=C(C(F)(F)F)C=1.[Cl:42]C1N=CC(C(O)=O)=C(C2C(C)=NC=CC=2)C=1.C(N(CC)CC)C.C1(P(N=[N+]=[N-])(C2C=CC=CC=2)=O)C=CC=CC=1.[C:83]([OH:87])([CH3:86])([CH3:85])[CH3:84]>>[C:8... | 1 |
N([C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)O)C(=O)OC(C)(C)C.Cl.N[C@@H](C(C)C)C(=O)OCOC(N(C1=C(C=C(C=C1)S(=O)(=O)C)OC)C1=NN2C(C=CC(=C2)C2=CC=C(C=C2)NC([C@H](C)C2=CC=C(C=C2)F)=O)=N1)=O>>C(C)(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)OCOC(N(C1=C(C=C(C=C1)S(=O)(=O)C)OC)C1=NN2C(C=CC(=C2)C2=CC=C(C=C2)NC([C@H](C)C... | 5 |
C([O-])=O.[NH4+].C[N:6](C)/[CH:7]=[CH:8]/[C:9]1[C:14]([C:15]#[N:16])=[CH:13][N:12]=[CH:11][CH:10]=1.CC(O)=O>O>[C:15]1([NH2:16])[C:14]2[C:9](=[CH:10][CH:11]=[N:12][CH:13]=2)[CH:8]=[CH:7][N:6]=1 | 1 |
[CH2:1]([N:7]1[CH2:12][CH:11]2[CH:9]([C:10]2([CH3:43])[C:13]2[CH:18]=[CH:17][CH:16]=[C:15]([C:19]3[N:23](C(C4C=CC=CC=4)(C4C=CC=CC=4)C4C=CC=CC=4)[CH:22]=[N:21][CH:20]=3)[CH:14]=2)[C:8]1=[O:44])[CH2:2][CH2:3][CH2:4][CH2:5][CH3:6].Cl.C(=O)([O-])O.[Na+].ClCCl>CO>[CH2:1]([N:7]1[CH2:12][CH:11]2[CH:9]([C:10]2([C:13]2[CH:18]=[... | 1 |
[Br:1][C:2]1[CH:3]=[C:4]2[C:8](=[C:9]([Cl:11])[CH:10]=1)[NH:7][CH2:6][CH2:5]2.O=O>CO.C1C=C(C=NCCN=CC2C([O-])=CC=CC=2)C([O-])=CC=1.[Co+2]>[Br:1][C:2]1[CH:3]=[C:4]2[C:8](=[C:9]([Cl:11])[CH:10]=1)[NH:7][CH:6]=[CH:5]2 | 1 |
ICC1=CC=C(C(=O)OC)C=C1>N(C)(C)C=O.O.[H-].[Na+].C(CO)O>COC(C1=CC=C(C=C1)COCCO)=O | 3 |
NC=1C=2N(C(=C(N1)C=1C=C(C#N)C=CC1)C1=C(N=CO1)C)N=C(N2)CC2=C(C=CC=C2C=C)F>O.C1CCCO1.I(=O)(=O)(=O)[O-].[Na+].[Os](=O)(=O)(=O)=O.[O-]S(=O)(=S)[O-].[Na+].[Na+]>NC=1C=2N(C(=C(N1)C=1C=C(C#N)C=CC1)C1=C(N=CO1)C)N=C(N2)CC2=C(C=CC=C2C=O)F | 3 |
CC(C(=O)Cl)C.NC1=CC=C(C=C1)C1=CC=CC=C1>ClCCl.CCN(CC)CC>C1(=CC=CC=C1)C1=CC=C(C=C1)NC(C(C)C)=O | 3 |
[CH3:1][O:2][C:3]1[CH:8]=[C:7]([CH2:9][NH:10][CH2:11][CH2:12][CH2:13][NH:14][CH2:15][CH2:16][CH2:17][CH2:18][NH:19][CH2:20][CH2:21][CH2:22][NH2:23])[CH:6]=[CH:5][C:4]=1[OH:24].[Cl:25][C:26]1[N:31]=[C:30]([NH:32][CH:33]([CH2:41][CH3:42])[C:34]2[CH:39]=[CH:38][C:37]([OH:40])=[CH:36][CH:35]=2)[CH:29]=[C:28]([CH2:43][CH3:4... | 1 |
C1COCCN1.BrCCC1=C2C(C(=O)NC2=O)=CC=C1>C(C)OCC>N1(CCOCC1)CCC1=C2C(C(=O)NC2=O)=CC=C1 | 3 |
C(OC(=O)[N:7]([S:13]([C:16]1[CH:21]=[C:20]([Cl:22])[C:19]([O:23][C:24]2[CH:29]=[CH:28][C:27]([C:30]([F:33])([F:32])[F:31])=[CH:26][C:25]=2[C:34]2[C:35]([N+:45]([O-])=O)=[N:36][N:37](C3CCCCO3)[CH:38]=2)=[CH:18][C:17]=1[F:48])(=[O:15])=[O:14])[C:8]1[N:9]=[CH:10][S:11][CH:12]=1)(C)(C)C.[Cl-].[NH4+]>C(O)C.[Fe]>[NH2:45][C:3... | 2 |
[C:1]1([C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=2)[CH:6]=[CH:5][C:4]([C:7]([OH:9])=[O:8])=[CH:3][CH:2]=1.C(N(CC)CC)C.[CH3:23][O:24][C:25](=[O:32])[CH2:26][C:27](=[O:31])[CH:28](Br)[CH3:29].O>CC(C)=O>[CH3:23][O:24][C:25]([CH2:26][C:27](=[O:31])[CH:28]([O:8][C:7]([C:4]1[CH:3]=[CH:2][C:1]([C:10]2[CH:11]=[CH:12][CH:13]... | 1 |
COC(C1=CC(C(=O)OC)=CC(=C1)I)=O>C1CCCO1.[Na+].[BH4-].[Cl-].[Ca+2].[Cl-]>OCC=1C=C(C=C(C1)I)CO | 3 |
BrCCOC(C)=O.COC1=C(C=C(C=C1)[N+](=O)[O-])O>>COC1=C(OCCO)C=C(C=C1)[N+](=O)[O-] | 5 |
C1N([C@@H](CC12CCNCC2)C(=O)OCC)C(=O)OCC2=CC=CC=C2.BrC1=CC(=C(C=C1)[C@H](C(F)(F)F)OC1=NC(=NC(=C1)Cl)N)N1N=C(C=C1)C>O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+]>NC1=NC(=CC(=N1)N1CCC2(C[C@H](N(C2)C(=O)OCC2=CC=CC=C2)C(=O)OCC)CC1)O[C@@H](C(F)(F)F)C1=C(C=C(C=C1)Br)N1N=C(C=C1)C | 3 |
[CH3:1][O:2][C:3]1[CH:11]=[CH:10][C:6]([C:7](O)=[O:8])=[CH:5][C:4]=1[S:12](=[O:23])(=[O:22])[NH:13][CH2:14][CH2:15][N:16]1[CH2:21][CH2:20][O:19][CH2:18][CH2:17]1.[CH:24](/[C:37]1[CH:42]=[CH:41][C:40]([NH2:43])=[CH:39][C:38]=1[S:44]([OH:47])(=[O:46])=[O:45])=[CH:25]\[C:26]1[CH:31]=[CH:30][C:29]([NH2:32])=[CH:28][C:27]=1... | 2 |
C(C)(C)(C)OC(=O)N1C[C@H](N(CC1)C1=NC=C(C=C1)C(NC1=C(C=C(C(=C1)OC(F)(F)F)Br)Cl)=O)C.COC(N[C@@H](C(C)C)C(=O)N1[C@@H](C=C(C1)C)C=1NC=C(N1)C1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C)=O>>C(C)(C)(C)OC(=O)N1C[C@H](N(CC1)C1=NC=C(C=C1)C(NC1=CC(=C(C=C1Cl)C1=CC=C(C=C1)C=1N=C(NC1)[C@H]1N(CC(=C1)C)C([C@H](C(C)C)NC(=O)OC)=O)OC(F)(F)F)=O)C | 5 |
B(Br)(Br)Br.C[O:6][C:7]1[CH:12]=[CH:11][C:10]([C:13]2[O:18][C:17]([C:19]([O:21][CH2:22][CH3:23])=[O:20])=[CH:16][C:15](=[O:24])[CH:14]=2)=[CH:9][CH:8]=1.O>ClCCl>[OH:6][C:7]1[CH:8]=[CH:9][C:10]([C:13]2[O:18][C:17]([C:19]([O:21][CH2:22][CH3:23])=[O:20])=[CH:16][C:15](=[O:24])[CH:14]=2)=[CH:11][CH:12]=1 | 1 |
[O:1]1[C:10]2[C:5](=[N:6][C:7]([CH2:11][OH:12])=[CH:8][CH:9]=2)[O:4][CH2:3][CH2:2]1>C(Cl)Cl.O=[Mn]=O>[O:1]1[C:10]2[C:5](=[N:6][C:7]([CH:11]=[O:12])=[CH:8][CH:9]=2)[O:4][CH2:3][CH2:2]1 | 1 |
BrC1=CC=C(C=C1)NC=C(C(=O)OCC)C(CC(C)C)=O>>BrC=1C=C2C(=C(C=NC2=CC1)C(CC(C)C)=O)O | 5 |
ClC1=C(N)C=C(C=C1)C(F)(F)F.ClC1=C(N)C=CC(=C1)C(F)(F)F>CN1C(CCC1)=O.ClC1=CC=CC=C1.S(=O)(=O)(Cl)Cl>ClC1=C(N)C(=CC(=C1)C(F)(F)F)Cl | 3 |
C1(=CC=CC=C1)CCCCCOC(=O)N[C@H](C(=O)O)[C@@H](C)O>>C1(=CC=CC=C1)CCCCCOC(N[C@H]1[C@H](OC1=O)C)=O | 5 |
[C:1]([C:5]1[CH:12]=[C:9]([CH:10]=O)[C:8]([OH:13])=[C:7]([CH2:14][CH3:15])[CH:6]=1)([CH3:4])([CH3:3])[CH3:2].[NH2:16][C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][C:18]=1[NH2:23]>C(O)C>[C:1]([C:5]1[CH:12]=[C:9]([CH:10]=[N:16][C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][C:18]=2[N:23]=[CH:10][C:9]2[C:8](=[C:7]([CH2:14][CH3:15])[CH:6]=[... | 2 |
[Br:1][C:2]1[C:6]([S:7]([C:10]([F:13])([F:12])[F:11])(=[O:9])=[O:8])=[C:5]([C:14]2[CH:19]=[CH:18][C:17]([Cl:20])=[CH:16][CH:15]=2)[NH:4][C:3]=1[S:21][C:22]([F:25])([F:24])[F:23].ClC1C=C(C=CC=1)C(OO)=[O:31].S(S([O-])=O)([O-])(=O)=O.[Na+].[Na+]>C(Cl)(Cl)Cl.C(Cl)Cl>[Br:1][C:2]1[C:6]([S:7]([C:10]([F:11])([F:12])[F:13])(=[O... | 1 |
Br[CH2:2][C:3]([C:5]1[CH:10]=[CH:9][C:8]([F:11])=[CH:7][C:6]=1[F:12])=O.Cl.[NH:14]=[C:15]1[CH2:19][CH2:18][CH2:17][NH:16]1.C([O-])([O-])=O.[Na+].[Na+].O>CN(C=O)C>[F:12][C:6]1[CH:7]=[C:8]([F:11])[CH:9]=[CH:10][C:5]=1[C:3]1[N:14]=[C:15]2[CH2:19][CH2:18][CH2:17][N:16]2[CH:2]=1 | 1 |
[Li+].[OH-].C([O:5][C:6]([C:8]1[C:9](Cl)=[N:10][C:11]2[C:16]([C:17]=1[CH3:18])=[CH:15][CH:14]=[C:13]([C:19]([F:22])([F:21])[F:20])[CH:12]=2)=[O:7])C.CO.C1C[O:29][CH2:28]C1>>[CH3:28][O:29][C:9]1[C:8]([C:6]([OH:5])=[O:7])=[C:17]([CH3:18])[C:16]2[C:11](=[CH:12][C:13]([C:19]([F:22])([F:21])[F:20])=[CH:14][CH:15]=2)[N:10]=1 | 1 |
BrC1=C(C=CC(=C1)F)[N+](=O)[O-]>C1(=CC=CC=C1)C.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.CC(C)(C)[O-].[Na+].C(CCC)N.C=1C=CC(=CC1)P(C=2C=CC=CC2)C3=CC=C4C=CC=CC4=C3C5=C6C=CC=CC6=CC=C5P(C=7C=CC=CC7)C=8C=CC=CC8>FC=1C=CC(=C(C1)NCCC)[N+](=O)[O-] | 3 |
C(C1=CC=CC=C1)O.FC12C3(C4(C2(C2(C1(C3(C42F)F)F)F)F)F)C(=O)OC(C(C(F)(F)F)(F)F)C(C(F)(F)F)(C(F)(F)F)F>C1CCCO1.CCN(CC)CC>FC12C3(C4(C2(C2(C1(C3(C42F)F)F)F)F)F)C(=O)OCC4=CC=CC=C4 | 3 |
[NH2:1][C:2]1[C:3](=[O:14])[N:4]([CH2:12][CH3:13])[C:5](=[O:11])[N:6]([CH2:9][CH3:10])[C:7]=1[NH2:8].[F:15][C:16]([F:29])([F:28])[C:17]1[CH:18]=[C:19]([CH:25]=[CH:26][CH:27]=1)[CH:20]=[CH:21][C:22](O)=O>>[CH2:12]([N:4]1[C:3](=[O:14])[C:2]2[NH:1][C:22](/[CH:21]=[CH:20]/[C:19]3[CH:25]=[CH:26][CH:27]=[C:17]([C:16]([F:15])... | 1 |
C(C)(C)C1=NOC(=N1)N1CCC(CC1)[C@@H](CCOS(=O)(=O)C)C.C(C)(C)(C)OC(NCC1=C(C=CC(=C1)O)N1C(CCC1)=O)=O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(C)(C)(C)OC(NCC1=C(C=CC(=C1)OCC[C@@H](C)C1CCN(CC1)C1=NC(=NO1)C(C)C)N1C(CCC1)=O)=O | 3 |
CC[Mg+].[Br-].C(C)(C)(C)[Si](OCCC=1C=C(C=CC1)O)(C)C>C1(=CC=CC=C1)C.C1CCCO1.CCN(CC)CC>[Si](C)(C)(C(C)(C)C)OCCC1=CC(=C(C=O)C=C1)O | 3 |
[CH3:1][C:2]1([CH3:14])[CH2:8][C:7](=S)[NH:6][C:5]2[CH:10]=[CH:11][CH:12]=[CH:13][C:4]=2[NH:3]1.[C:15]([NH:18][NH2:19])(=O)[CH3:16]>C(O)CCC>[CH3:16][C:15]1[N:6]2[C:5]3[CH:10]=[CH:11][CH:12]=[CH:13][C:4]=3[NH:3][C:2]([CH3:14])([CH3:1])[CH2:8][C:7]2=[N:19][N:18]=1 | 1 |
Cl[C:2]1[CH:7]=[C:6]([CH3:8])[N:5]=[C:4]([C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][N:10]=2)[N:3]=1.[CH3:15][C:16]1[CH:22]=[CH:21][CH:20]=[C:19]([CH3:23])[C:17]=1[NH2:18].Cl.[OH-].[Na+]>O.C(O)C>[CH3:15][C:16]1[CH:22]=[CH:21][CH:20]=[C:19]([CH3:23])[C:17]=1[NH:18][C:2]1[CH:7]=[C:6]([CH3:8])[N:5]=[C:4]([C:9]2[CH:14]=[CH:13][CH... | 1 |
ClC1N=[N:6]C(C(N)=[O:9])=C(NC2C=CC=C(C(C)C)N=2)C=1.N[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C.[C:36]([C:39]1[N:44]=[N:43][C:42]([NH:45][C@@H:46]2[CH2:51][CH2:50][CH2:49][CH2:48][C@@H:47]2[NH:52]C(=O)OC(C)(C)C)=[CH:41][C:40]=1[NH:60][C:61]1[CH:66]=[CH:65][CH:64]=[C:63]([CH:67]([CH3:69])[CH3:68])[N:62]=1)(=[O:38])[NH2:37].N[C@H]... | 1 |
[N+](=O)([O-])C=1C=C(C=CC1)O.S(=O)(=O)(OCCCl)C1=CC=C(C)C=C1>C([O-])([O-])=O.[K+].[K+].C(C)C(=O)C>ClCCOC1=CC(=CC=C1)[N+](=O)[O-] | 3 |
BrC1=CC=C(C=C1)NC(=O)C1=CC2=C(N(C(=N2)NC2=C(C=CC(=C2)CNC(=O)OC(C)(C)C)Cl)C)C=C1OCC(F)F>ClCCl.C(=O)(C(F)(F)F)O>BrC1=CC=C(C=C1)NC(=O)C1=CC2=C(N(C(=N2)NC2=C(C=CC(=C2)CN)Cl)C)C=C1OCC(F)F | 3 |
CN1C(N(C2=C1C(=CC=C2)N2CCNCC2)C2C(NC(CC2)=O)=O)=O.C(=O)C1COC2(CN(C2)C(=O)OC(C)(C)C)C1>O.C1CCCO1.CCN(CC)CC.C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>O=C1NC(CCC1N1C(N(C2=C1C=CC=C2N2CCN(CC2)CC2COC1(CN(C1)C(=O)OC(C)(C)C)C2)C)=O)=O | 3 |
N1C(=NC2=C1C=CC=C2)SC2=CC=C(O2)C=O.C1(=CC=CC=C1)P(C1=CC=CC=C1)(C1=CC=CC=C1)=C1C(=O)NC(C1)=O>>N1C(=NC2=C1C=CC=C2)SC2=CC=C(O2)\C=C/2\C(NC(C2)=O)=O | 5 |
C(C(C)(C)C)[Mg]Cl.C(=O)C1=CC(=CS1)C(=O)OC>>COC(=O)C1=CSC(=C1)C(CC(C)(C)C)O | 5 |
ClC1=C(C=C(C=C1)Cl)C1C2=C(N(C(C1)=O)CC(=O)OC(C)(C)C)CN(C2=O)C>O.O1CCOCC1.[N+](=O)([O-])[O-].[NH4+].[Ce+4].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]>ClC1=C(C=C(C=C1)Cl)C=1C2=C(N(C(C1)=O)CC(=O)OC(C)(C)C)CN(C2=O)C | 3 |
C(C)O/C=C/B1OC(C(O1)(C)C)(C)C.BrC1=C(C=CC(=C1)F)S(=O)(=O)N=CN(C)C>O.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C1(CCCCC1)P(C1CCCCC1)C1CCCCC1>C(C)O/C=C/C1=C(C=CC(=C1)F)S(=O)(=O)N=CN(C)C | 3 |
COC1=NC=C(C(=N1)OC)C1=CC=C2C(=C(C=NC2=C1)C(=O)N)Cl.NC=1C=C(C(=O)O)C=C(C1)C1CCOCC1>C(C)(=O)O>NC(=O)C=1C=NC2=CC(=CC=C2C1NC=1C=C(C(=O)O)C=C(C1)C1CCOCC1)C=1C(=NC(=NC1)OC)OC | 3 |
O1CC1(C)C.BrC1=CC=C2CNC(C2=C1)=O>CN1C(CCC1)=O.C(=O)([O-])[O-].[Cs+].[Cs+]>BrC1=CC=C2CN(C(C2=C1)=O)CC(C)(C)O | 3 |
[N+](=O)([O-])C=1C=CC(=C(C(=O)OC)C1)Br>>COC(C1=CC(=CC=C1Br)N)=O | 5 |
FC1=CC=C(C=C1)SC1=CC=C(N)C=C1>O.Cl.N(=O)[O-].[Na+].O.O.[Sn](Cl)Cl>Cl.FC1=CC=C(C=C1)SC1=CC=C(C=C1)NN | 3 |
[I-].[Na+].Cl[Si](C)(C)C.C[O:9][C:10]1[C:11](=[O:28])[C:12]([C:17]2[N:21]([C:22]3[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=3)[N:20]=[CH:19][CH:18]=2)=[N:13][N:14]([CH3:16])[CH:15]=1.O>C(#N)C>[OH:9][C:10]1[C:11](=[O:28])[C:12]([C:17]2[N:21]([C:22]3[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=3)[N:20]=[CH:19][CH:18]=2)=[N:13][N:14]... | 1 |
[H-].[Al+3].[Li+].[H-].[H-].[H-].[C:7]([C:11]1[CH:16]=[C:15]([Cl:17])[C:14]([N:18]=[C:19]2[NH:23][CH2:22][CH2:21][NH:20]2)=[C:13]([Cl:24])[CH:12]=1)(OC)=[O:8].C(OCC)(=O)C>O1CCCC1>[Cl:24][C:13]1[CH:12]=[C:11]([CH2:7][OH:8])[CH:16]=[C:15]([Cl:17])[C:14]=1[N:18]=[C:19]1[NH:20][CH2:21][CH2:22][NH:23]1 | 1 |
[C:1]([O:5][C:6](=[O:37])[C@@H:7]([N:13]1[C@H:17]([C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)[CH2:16][O:15]C1C(C1C=CC=CC=1)C1C=CC=CC=1)[C@@H:8]([OH:12])[CH:9]([CH3:11])[CH3:10])([CH3:4])([CH3:3])[CH3:2]>O1CCCC1.O.C(O)=O>[C:1]([O:5][C:6](=[O:37])[C@@H:7]([NH:13][C@@H:17]([C:18]1[CH:19]=[CH:20][CH:21]=[CH:22][CH:23]=... | 1 |
FC=1C(=C(C=C(C1)F)C1=CCN(CC1)C(=O)OC(C)(C)C)C(F)(F)F>CCO[H].[HH].[Pd]>FC=1C(=C(C=C(C1)F)C1CCN(CC1)C(=O)OC(C)(C)C)C(F)(F)F | 3 |
COC=1C(=CC(=C(C(=O)O)C1)[N+](=O)[O-])OCCCl>CO[H].[HH].[Pd]>COC1=C(C=C(C(C(=O)O)=C1)N)OCCCl | 3 |
C1(=CC=CC=C1)C(=NC=1C=C(C=2N(C1)C=C(N2)C)C(F)(F)F)C2=CC=CC=C2>Cl.O1CCOCC1>Cl.CC=1N=C2N(C=C(C=C2C(F)(F)F)N)C1 | 3 |
N1(CCCCC1)CCN.Cl.C1(CCCCC1)CCNCCSC>>Cl.C(C1=CC=CC=C1)OC(=O)N1CCC(CC1)CN.C1(CCCCC1)CCN(C(=O)NCCN1CCCCC1)CCSC | 5 |
[CH2:1]([OH:9])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8].[CH2:10]1[CH2:15][CH2:14][CH2:13][CH2:12][CH2:11]1.C(OOC(C)(C)C)(C)(C)C>>[CH:10]1([O:9][CH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])[CH2:15][CH2:14][CH2:13][CH2:12][CH2:11]1 | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.N[C@H](C(=O)O)[C@H](C)O>O.CO[H].C(O)([O-])=O.[Na+]>C(=O)(OC(C)(C)C)N[C@@H]([C@@H](O)C)C(=O)O | 3 |
ClCC(C)=O>N(C)(C)C=O.O.C([O-])([O-])=O.[K+].[K+].C1(C=2C(C(N1)=O)=CC=CC2)=O.[K]>O=C(CN1C(C2=CC=CC=C2C1=O)=O)C | 3 |
C(C)OC(=O)NC1(CC1)C1=CC=C(C(=O)OC)C=C1.BrCCOC1OCCC1>>C(C)OC(=O)N(C1(CC1)C1=CC=C(C(=O)OC)C=C1)CCOC1OCCCC1 | 5 |
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