smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
CI.C(C)OC(C(CC(F)(F)F)CNC(=O)OCC1=CC=CC=C1)=O>C1CCCO1.[H-].[Na+].[Cl-].[NH4+]>C(C)OC(C(CC(F)(F)F)CN(C)C(=O)OCC1=CC=CC=C1)=O | 3 |
C(C)[C@@H]1OC(C[C@@]([C@H]1C)(O)C/C=C/C=C(\C)/[C@@H]1[C@H](\C=C/C#C[C@H]([C@@H]([C@H]([C@@H](/C(=C/CCC(O1)=O)/C)C)O)C)O)C)=O>[HH].ClCCCl.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.[Rh+].C1CC=CCCC=C1.C2CC=CCCC=C2.FC(F)(F)c3cc(cc(c3)C(F)(F)F)[B-](c4cc(cc(c4)C(F)(F)F)C(F)(F)... | 3 |
OCC[C@H]1CN(C2=C(O1)C=CC(=C2)NC(OC(C)(C)C)=O)S(=O)(=O)C2=CC(=CC=C2)C(F)(F)F>ClCCl.CCN(CC)CC.CS(=O)(=O)Cl>CS(=O)(=O)OCC[C@H]1CN(C2=C(O1)C=CC(=C2)NC(=O)OC(C)(C)C)S(=O)(=O)C2=CC(=CC=C2)C(F)(F)F | 3 |
FC(OC=1C=C(C=CC1)B(O)O)(F)F.C(C)OC(=O)C=1C(=NNC1C)C1=CC=NC=C1>ClCCl.c1ccncc1.C(C)(=O)[O-].[Cu+2].C(C)(=O)[O-]>C(C)OC(=O)C=1C(=NN(C1C)C1=CC(=CC=C1)OC(F)(F)F)C1=CC=NC=C1 | 3 |
C(#N)C1=NC=C(C(=O)O)C=C1>>OCC1=CC=CC(=N1)C#N | 5 |
[CH2:1]([O:8][C:9]1[C:14]([CH2:15][N:16]2[CH2:25][CH2:24][C:23]3[C:18](=[C:19]([Cl:31])[C:20]([O:27][CH:28]([CH3:30])[CH3:29])=[CH:21][C:22]=3Br)[C:17]2=[O:32])=[C:13]([CH3:33])[CH:12]=[C:11]([CH3:34])[N:10]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.CC1(C)C(C)(C)OB([C:43]2[CH:44]=[CH:45][C:46]([N:49]3[CH2:54][CH2:53][... | 2 |
Br[C:2]1[CH:8]=[C:7]([F:9])[C:5]([NH2:6])=[C:4]([F:10])[CH:3]=1.[CH2:11]([S:13][C:14]1[CH:15]=[C:16](B(O)O)[CH:17]=[CH:18][CH:19]=1)[CH3:12]>>[CH2:11]([S:13][C:14]1[CH:19]=[C:18]([C:2]2[CH:8]=[C:7]([F:9])[C:5]([NH2:6])=[C:4]([F:10])[CH:3]=2)[CH:17]=[CH:16][CH:15]=1)[CH3:12] | 1 |
Cl.N1(N=CC=C1)C(=N)N.Cl.Cl.N1=CC=C(C=C1)NC(C1=CC=C(C=C1)CN)=O>CO[H].C(C)(C)N(C(C)C)CC>O.Cl.N1=CC=C(C=C1)NC(C1=CC=C(C=C1)CNC(=N)N)=O | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C(C1=CC=CC=C1)N1CC(C(C1)C)NC(=O)OC(C)(C)C>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>C(C1=CC=CC=C1)N1CC(C(C1)C)N(C)C(=O)OC(C)(C)C | 3 |
F[C@@H]1C[C@@]2(CCCN2C1)COC=1N=C(C2=C(N1)C(=C(N=C2)C2=CC(=CC1=CC=C(C(=C21)F)F)OCOC)F)N2CC1CCC(C2)N1C(=O)OC(C)(C)C>CC#N.Cl>[C@H]12CN(C[C@H](CC1)N2)C=2C1=C(N=C(N2)OC[C@]23CCCN3C[C@@H](C2)F)C(=C(N=C1)C1=CC(=CC2=CC=C(C(=C12)F)F)O)F | 3 |
ClC1=CC(=C(C=C1)/C=C/C(=O)O)CN1N=C(N=N1)C.CC=1OC(=NN1)CCC1CCNCC1>>ClC1=CC(=C(C=C1)/C=C/C(=O)N1CCC(CC1)CCC=1OC(=NN1)C)CN1N=C(N=N1)C | 5 |
[C:1]1([C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[S:7]([NH2:10])(=[O:9])=[O:8].C(N=[C:22]=[O:23])CCC.N12CCN(CC1)CC2.C(Cl)(Cl)=O>ClC1C=CC=CC=1>[C:1]1([C:11]2[CH:12]=[CH:13][CH:14]=[CH:15][CH:16]=2)[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[S:7]([N:10]=[C:22]=[O:23])(=[O:9])=[O:8] | 1 |
BrC1=NC=CC=C1COC1=CN=C(C=C1C=O)OC.CC=1C=NN(C1B(O)O)C1OCCCC1>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].C(C)(=O)OCC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.CCCCCC.CCCC(C)C.CCC(C)CC>COC=1C=C(C=O)C(=CN1)OCC=1C(=NC=CC1)C1=C(C=NN1C1NCCC... | 3 |
CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)O)OC)C.C1(=CC=C(C=C1)P(C=C)(C1=CC=C(C=C1)C)=O)C>C1(=CC=CC=C1)C.[OH-].[K+]>CO[C@H]1[C@@H]([C@@]2(CO2)CC[C@H]1OCCP(C1=CC=C(C=C1)C)(C1=CC=C(C=C1)C)=O)[C@]1(O[C@@H]1CC=C(C)C)C | 3 |
[C:1]([O:9][CH:10]([C:18](=[O:21])[CH2:19][CH3:20])[C:11](=[O:17])[CH:12]=[CH:13]N(C)C)(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C(O)(=O)CC.C(O)(=O)C(O)=O.Cl.S(=O)(=O)(O)O>C(O)(=O)C.C(O)=O>[C:1]([O:9][C:10]1[C:18](=[O:21])[CH:19]=[CH:20][O:17][C:11]=1[CH2:12][CH3:13])(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3... | 1 |
BrC1=NC=C(C=C1)Br.O1C(CCCC1)O[C@@H](C(=O)N1CCOCC1)C>C1(=CC=CC=C1)C.C(CCC)[Li]>BrC=1C=CC(=NC1)C([C@@H](C)OC1OCCCC1)=O | 3 |
Cl.FC1=CC=C(C=C1)NN.C(=O)(OC)C1=CC=NC=C1>CC#N.CC(C)(C)[O-].[K+].C1CCCO1.CCO[H]>FC1=CC=C(C=C1)N1N=C(C=C1N)C1=CC=NC=C1 | 3 |
C[C@@]1(OC1)COS(=O)(=O)C1=CC(=CC=C1)[N+](=O)[O-].OC1=C(C=CC(=C1)OC)NC(C)=O>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>COC1=CC(=C(C=C1)NC(C)=O)OC[C@]1(OC1)C | 3 |
[C:1]1([S:7]([C:10]2[C:14]([S:15][CH3:16])=[N:13][NH:12][C:11]=2[NH2:17])(=[O:9])=[O:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.C[O:19][CH2:20][C:21](=O)[CH2:22][C:23]([O:25][CH2:26]C)=O>C(O)(=O)C>[C:1]1([S:7]([C:10]2[C:14]([S:15][CH3:16])=[N:13][N:12]3[C:20]([OH:19])=[CH:21][C:22]([CH2:23][O:25][CH3:26])=[N:17][C:11]=23)(=... | 1 |
FC1=CC=C(C=C1)C=1OC2=C(N1)CN(C2)C(=O)OCC2=CC=CC=C2>C(C)(=O)O.Br>FC1=CC=C(C=C1)C=1OC2=C(N1)CNC2 | 3 |
C(#N)N=C(OC1=CC=CC=C1)N1CCC(CC1)(C1=CC=CC=C1)CCN1C2CC(CC1CC2)N2C(=NC1=C2C=CC=C1)C>>CC1=NC2=C(N1C1CC3CCC(C1)N3CCC3(CCN(CC3)C3=NC(=NN3)N)C3=CC=CC=C3)C=CC=C2 | 5 |
OC1=C(C(=O)Cl)C=CC=C1.N=C1NS(C2=C1C=CC=C2)(C)=O>O.C1CCCO1.CCN(CC)CC>C(C=1C(O)=CC=CC1)(=O)N=C1NS(C2=C1C=CC=C2)(C)=O | 3 |
ClC1=C(C(=CC=C1Cl)CC=C)O>C(C)(=O)[O-].[Na+].C(O)([O-])=O.[Na+].C(C)(=O)OO>ClC1=C(C(=CC=C1Cl)CC1CO1)O | 3 |
[F:1][C:2]([F:11])([F:10])[CH2:3][CH2:4][C:5]([O:7]CC)=[O:6].[OH-].[K+].CO>O>[F:1][C:2]([F:11])([F:10])[CH2:3][CH2:4][C:5]([OH:7])=[O:6] | 1 |
[F:1][C:2]1[CH:23]=[CH:22][CH:21]=[CH:20][C:3]=1[CH2:4][N:5]1[C:9]([C:10](OC)=[O:11])=[N:8][C:7]([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][N:15]=2)=[N:6]1.O.[NH2:25][NH2:26]>CO>[F:1][C:2]1[CH:23]=[CH:22][CH:21]=[CH:20][C:3]=1[CH2:4][N:5]1[C:9]([C:10]([NH:25][NH2:26])=[O:11])=[N:8][C:7]([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16]... | 1 |
[CH2:1]([C:3]1[CH:8]=[CH:7][N:6]=[CH:5][CH:4]=1)[CH3:2].S(OOS([O-])(=O)=O)([O-])(=O)=O.[NH4+].[NH4+].S(=O)(=O)(O)O.[C:26](=O)(O)[O-:27].[Na+]>CO.O>[CH2:1]([C:3]1[CH:8]=[CH:7][N:6]=[C:5]([CH2:26][OH:27])[CH:4]=1)[CH3:2] | 1 |
[NH2:1][C:2]1[C:10]([O:11][CH2:12][C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)=[CH:9][CH:8]=[C:7]([O:19][CH3:20])[C:3]=1[C:4]([NH2:6])=[O:5].[CH:21]([N:24]1[CH2:29][CH2:28][N:27]([C:30]2[CH:31]=[C:32]([CH:35]=[CH:36][CH:37]=2)[CH:33]=O)[CH2:26][CH2:25]1)([CH3:23])[CH3:22].CC1C=CC(S(O)(=O)=O)=CC=1.OS([O-])=O.[Na+]>CN... | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([Cl:8])[C:3]=1[C:9]1[NH:10][C:11]2[C:16]([CH:17]=1)=[CH:15][CH:14]=[C:13]([C:18](O)=[O:19])[CH:12]=2.[Br:21][C:22]1[N:27]=[C:26]2[S:28][C:29]([NH2:31])=[N:30][C:25]2=[CH:24][CH:23]=1>>[Br:21][C:22]1[N:27]=[C:26]2[S:28][C:29]([NH:31][C:18]([C:13]3[CH:12]=[C:11]4[C:16]([CH:17]=[C:9](... | 1 |
C(C#C)Br.C1(=CC=CC=C1)C=1NC(OC1C1=CC=CC=C1)=O>N(C)(C)C=O.O.[H-].[Na+]>C(C#C)N1C(OC(=C1C1=CC=CC=C1)C1=CC=CC=C1)=O | 3 |
ClC1=C(C(=CC=C1)CSC)NC(C(F)(F)F)=O>>ClC1=C(C(=CC=C1)CS(=O)(=O)C)NC(C(F)(F)F)=O | 5 |
ClC1=CC(=C(C=C1)N1CCOCC1)CN1CCNCC1>ClCCl.C(C)(C)N(C(C)C)CC.C1CC(=O)N(C1=O)OC(=O)ON2C(=O)CCC2=O>ClC=1C=CC(=C(C1)CN1CCN(CC1)C(=O)ON1C(CCC1=O)=O)N1CCOCC1 | 3 |
[CH3:1][O:2][C:3]1[C:4]([NH:15][C:16](=[O:20])OCC)=[N:5][C:6]2[C:11]([N:12]=1)=[CH:10][C:9]([O:13][CH3:14])=[CH:8][CH:7]=2.[CH3:21][O:22][C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][C:24]=1[N:29]1[CH2:34][CH2:33][NH:32][CH2:31][CH2:30]1>>[CH3:1][O:2][C:3]1[C:4]([NH:15][C:16]([N:32]2[CH2:31][CH2:30][N:29]([C:24]3[CH:25]=[CH:26... | 1 |
C1(CCCC1)=O.CC1NCCC1>>CC1N(CCC1)C1(CCCC1)C#N | 5 |
BrC1=NC(=CC(=C1)N1CCC(CC1)(O)C)SC>O.CO[H].S(=O)(=O)(O[O-])[O-].[K+].[K+]>BrC1=NC(=CC(=C1)N1CCC(CC1)(O)C)S(=O)(=O)C | 3 |
C(Cl)[Cl:2].[F:4][C:5]1[CH:10]=[CH:9][C:8]([CH2:11][C:12]([OH:14])=O)=[CH:7][CH:6]=1.C(Cl)(=O)C(Cl)=O>CN(C)C=O>[F:4][C:5]1[CH:10]=[CH:9][C:8]([CH2:11][C:12]([Cl:2])=[O:14])=[CH:7][CH:6]=1 | 2 |
N=1C(=CN2C1C=CC=C2)CNC2CCCC=1C=CC=NC21.CN1CC(CCC1)CC=O>>N=1C(=CN2C1C=CC=C2)CN(C2CCCC=1C=CC=NC21)CCC2CN(CCC2)C | 5 |
S(=O)(=O)(OC)OC.OC=C(C(=O)OC)C1=C(C=CC=C1)COC1=NC(=NC(=C1)C(F)(F)F)OC(C)C>C1(=CC=CC=C1)C.[OH-].[Na+].[Cl-].C(C1=CC=CC=C1)[N+](CCCC)(CCCC)CCCC>COC=C(C(=O)OC)C1=C(C=CC=C1)COC1=NC(=NC(=C1)C(F)(F)F)OC(C)C | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[NH:7][CH:6]=[C:5]2[C:11]1[CH2:12][CH2:13][N:14]([CH3:17])[CH2:15][CH:16]=1.[C:18]1([S:24](Cl)(=[O:26])=[O:25])[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1.Cl>CCOCC>[Cl:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[N:7]([S:24]([C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1)(=[O... | 1 |
O1CCOC12CCNCC2.ClC[C@@H](CC#N)O>>O1CCOC12CCN(CC2)CC(CC#N)O | 5 |
C=1C=CN2CC3=C(NCC12)C=CC=N3.CC=1C=C(C(=O)Cl)C=CC1Br>ClCCl.CCN(CC)CC>BrC1=C(C=C(C=C1)C(=O)N1C2=C(CN3C=CC=C3C1)N=CC=C2)C | 3 |
BrC1=CC2=C(OCC(N2)=O)C=N1>C1CCCO1.CO[H].B.C1CCOC1>BrC1=CC2=C(OCCN2)C=N1 | 3 |
COCCOCCO.ClC1=CC(=NC(=N1)N)N>[Na]>COCCOCCOC1=CC(=NC(=N1)N)N | 3 |
C(C)(C)NC1=CC=CC=C1>O.Cl.N(=O)[O-].[Na+]>C1(=CC=CC=C1)N(N=O)C(C)C | 3 |
CC1(C)C(C)(C)OB([C:9]2[CH:15]=[CH:14][C:12]([NH2:13])=[CH:11][CH:10]=2)O1.C(=O)([O-])[O-].[K+].[K+].[Br:23][C:24]1[CH:25]=[C:26](I)[C:27]([NH2:30])=[N:28][CH:29]=1>O1CCOCC1.O.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=... | 1 |
C1(CC1)C=1C(=CC2=C(C(=C(O2)C2=CC=C(C=C2)F)C(NC)=O)C1)N(CCOCCOCCOC(C(=O)O)(C)C)S(=O)(=O)C>ClCCl.C(C)(C)N(C(C)C)CC.Cl.NO.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>CNC(=O)C1=C(OC2=C1C=C(C(=C2)N(S(=O)(=O)C)CCOCCOCCOC(C)(C)C(NO)=O)C2CC2)C2=CC=C(C=C2)F | 3 |
CC(C)([O-])C.[K+].[C:7]([CH2:9]P(=O)(OCC)OCC)#[N:8].[CH:18]1([C:23]([C:25]2[O:26][C:27]([C:30]3[C:31]4[CH:38]=[CH:37][N:36](COCC[Si](C)(C)C)[C:32]=4[N:33]=[CH:34][N:35]=3)=[CH:28][N:29]=2)=O)[CH2:22][CH2:21][CH2:20][CH2:19]1>C1COCC1>[CH:18]1([C@H:23]([C:25]2[O:26][C:27]([C:30]3[C:31]4[CH:38]=[CH:37][NH:36][C:32]=4[N:33... | 2 |
CC=1C=C(C=C(C1)C)B(O)O.ClC1=NC=NC2=CC=CC=C12>>CC=1C=C(C=C(C1)C)C1=NC=NC2=CC=CC=C12 | 5 |
C(C1=CC=CC=C1)Br.BrC1=CC=C2N=CC(NC2=C1)=O>>BrC1=CC=C2N=CC(N(C2=C1)CC1=CC=CC=C1)=O | 5 |
[OH:1][CH:2]([CH2:12][OH:13])[CH2:3][O:4][C:5]1[CH:11]=[CH:10][C:8]([NH2:9])=[CH:7][CH:6]=1.C(N(CC)CC)C.[CH3:21][S:22]([CH2:24][CH2:25][C:26](Cl)=[O:27])=[O:23]>CN(C)C=O>[OH:1][CH:2]([CH2:12][OH:13])[CH2:3][O:4][C:5]1[CH:11]=[CH:10][C:8]([NH:9][C:26](=[O:27])[CH2:25][CH2:24][S:22]([CH3:21])=[O:23])=[CH:7][CH:6]=1 | 1 |
FC1=CC=C(C=O)C=C1.OCC1=NC=CC=C1>>N1=C(C=CC=C1)COC1=CC=C(C=O)C=C1 | 5 |
OC1C=CC(C2C=C3C(=CC=2)C(=O)CCC3)=CC=1.[CH2:19]([C:21]1[CH:22]=[C:23]([C:29]2[CH:30]=[C:31]3[C:36](=[CH:37][CH:38]=2)[C:35](=[O:39])[CH2:34][CH2:33][CH2:32]3)[CH:24]=[CH:25][C:26]=1[O:27]C)[CH3:20]>O>[CH2:19]([C:21]1[CH:22]=[C:23]([C:29]2[CH:30]=[C:31]3[C:36](=[CH:37][CH:38]=2)[C:35](=[O:39])[CH2:34][CH2:33][CH2:32]3)[C... | 2 |
C(C=C)[Mg]Br.CC(C)=CCC[C@H](C)CC=O>C(C)OCC.B([C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C)([C@@H]3C[C@@H]4C[C@H]([C@H]3C)C4(C)C)OC>CC(CC(CC=C)O)CCC=C(C)C | 3 |
C([O:3][CH:4](OCC)[CH2:5][O:6][C:7]1[CH:20]=[CH:19][C:10]([CH2:11][CH:12]2[S:16][C:15](=[O:17])[NH:14][C:13]2=[O:18])=[CH:9][CH:8]=1)C.Cl>O1CCCC1>[O:3]=[CH:4][CH2:5][O:6][C:7]1[CH:20]=[CH:19][C:10]([CH2:11][CH:12]2[S:16][C:15](=[O:17])[NH:14][C:13]2=[O:18])=[CH:9][CH:8]=1 | 1 |
BrC1=CC=C2C=NNC2=C1.ClC1=NC=CC(=N1)CC>N(C)(C)C=O.[H-].[Na+]>BrC1=CC=C2C=NN(C2=C1)C1=NC=CC(=N1)CC | 3 |
[CH2:1]1[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[C:3]([CH2:10][C:11]([O:13][CH3:14])=[O:12])=[CH:2]1.[Li+].[CH3:16][CH:17]([N-]C(C)C)C.C(I)C>C1COCC1>[CH3:14][O:13][C:11](=[O:12])[CH2:10][C:3]1[C:4]2[C:9](=[CH:8][CH:7]=[CH:6][CH:5]=2)[CH:1]([CH2:16][CH3:17])[CH:2]=1 | 1 |
C1(CCCC1)(C(=O)OC)C(=O)OC>>COC(=O)C1(CCCC1)C=O | 5 |
O[Li:2].O.[CH3:4][O:5][C:6]([NH:8][CH2:9][CH2:10][O:11][CH:12]([C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1)[C:13]1[CH:14]=[C:15]([CH:20]=[CH:21][CH:22]=1)[C:16]([O:18]C)=[O:17])=[O:7]>CO.O>[CH3:4][O:5][C:6]([NH:8][CH2:9][CH2:10][O:11][CH:12]([C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1)[C:13]1[CH:14]=[C:15]([CH:20... | 2 |
[Si](C)(C)(C(C)(C)C)OCCN[C@@H]1CC[C@H](CC1)NC1=NC=C(C(=C1)C1=NC(=CC=C1)NCC1=CC(=CC=C1)F)Cl>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>ClC=1C(=CC(=NC1)N[C@@H]1CC[C@H](CC1)NCCO)C1=NC(=CC=C1)NCC1=CC(=CC=C1)F | 3 |
C(CCCCl)(Cl)=O.C1=CC=C(C=C1)NC2=CC=CC=C2N>ClCCl.c1ccncc1>ClCCCC(=O)NC1=C(C=CC=C1)NC1=CC=CC=C1 | 3 |
[OH-].[Na+].CO.[CH:5]1([C:8]2[CH:13]=[C:12]([CH2:14][N:15]3[CH2:20][CH2:19][CH:18]([N:21]4[CH2:30][CH2:29][C:28]5[N:27]=[C:26]([CH2:31][CH2:32][CH3:33])[C:25]([C:34]([O:36]C)=[O:35])=[CH:24][C:23]=5[C:22]4=[O:38])[CH2:17][CH2:16]3)[C:11]([O:39][CH2:40][CH3:41])=[CH:10][C:9]=2[C:42]2[CH:47]=[CH:46][C:45]([F:48])=[CH:44]... | 1 |
N1C=CC=C1.I/C=C/OC1=CC=C(C=C1)C1=CC=CC=C1>[Cu]I.C(=O)([O-])[O-].[Cs+].[Cs+]>C1(=CC=C(C=C1)O/C=C/N1C=CC=C1)C1=CC=CC=C1 | 3 |
CI.O=C1C2(CCN(C2)C(=O)OC(C)(C)C)C(CN1)C1=CC=CC=C1>>CN1C(C2(CCN(C2)C(=O)OC(C)(C)C)C(C1)C1=CC=CC=C1)=O | 5 |
[C:1]([NH:5][C@H:6]1[CH2:11][CH2:10][CH2:9][N:8]([C:12]2[N:17]=[C:16]([NH:18]C(=O)OC(C)(C)C)[CH:15]=[CH:14][CH:13]=2)[CH2:7]1)(=[O:4])[CH:2]=[CH2:3].C(O)(C(F)(F)F)=O>C(Cl)Cl>[NH2:18][C:16]1[N:17]=[C:12]([N:8]2[CH2:9][CH2:10][CH2:11][C@H:6]([NH:5][C:1](=[O:4])[CH:2]=[CH2:3])[CH2:7]2)[CH:13]=[CH:14][CH:15]=1 | 1 |
[F:1][C:2]1[CH:3]=[C:4]([NH:21][C:22]([C:24]2[C:25](=[O:45])[N:26]([C:39]3[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=3)[N:27]([CH2:30][C@H:31]([O:33][C:34](=[O:38])[C@@H:35]([NH2:37])[CH3:36])[CH3:32])[C:28]=2[CH3:29])=[O:23])[CH:5]=[CH:6][C:7]=1[O:8][C:9]1[C:18]2[C:13](=[CH:14][C:15]([O:19][CH3:20])=[CH:16][CH:17]=2)[N:12]... | 1 |
N(C(OCC)=O)=N[C:3](OCC)=[O:4].[Cl:13][C:14]1[CH:33]=[CH:32][C:17]([NH:18][C:19]2[C:28]3[C:23](=[CH:24][C:25]([OH:31])=[C:26](OC)[CH:27]=3)[N:22]=[CH:21][N:20]=2)=[C:16]([F:34])[CH:15]=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.O[CH2:55][CH2:56][N:57]1[CH2:62][CH2:61][O:60][CH2:59][C:58]1=[O:63]>C(Cl)Cl.C1COCC1>[ClH:13].[... | 2 |
BrC1=C(C=CC(=C1C)C)[N+](=O)[O-]>O.c1ccncc1.Cl.[O-][Mn](=O)(=O)=O.[K+]>BrC1=C(C(C(=O)O)=CC=C1[N+](=O)[O-])C(=O)O | 3 |
CN1N=C(C=C1[N+](=O)[O-])C(=O)OC>>NC1=CC(=NN1C)C(C(F)(F)F)O | 5 |
C1COCCN1.BrC=1C(=NC(=C(C1)[N+](=O)[O-])C)Cl>>BrC=1C(=NC(=C(C1)[N+](=O)[O-])C)N1CCOCC1 | 5 |
[CH2:1]([C:3]1[CH:4]=[C:5]([C:17]#[CH:18])[CH:6]=[C:7]2[C:12]=1[O:11][C:10]([CH3:14])([CH3:13])[CH2:9][C:8]2([CH3:16])[CH3:15])[CH3:2].[CH3:19][O:20][C:21](=[O:30])[CH2:22][C:23]1[CH:28]=[CH:27][C:26](I)=[CH:25][CH:24]=1.C(N(CC)CC)C>[Cu]I.Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)... | 1 |
[CH2:1]([S:3][C:4]1[S:8][C:7]([NH:9][NH2:10])=[N:6][N:5]=1)[CH3:2].[N:11]1[CH:16]=[CH:15][CH:14]=[CH:13][C:12]=1[C:17](=O)[CH2:18][C:19](=O)[C:20]([O:22][CH3:23])=[O:21]>>[CH2:1]([S:3][C:4]1[S:8][C:7]([NH:9][NH2:10])=[N:6][N:5]=1)[CH3:2].[CH2:1]([S:3][C:4]1[S:8][C:7]([N:9]2[C:17]([C:12]3[CH:13]=[CH:14][CH:15]=[CH:16][N... | 2 |
C(C)(C)(C)OC(=O)N1CCC(CC1)C(=O)NN.N(N)C(=O)C1CN(CCC1)C(=O)OC(C)(C)C>ClCCl.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>FC(C=1C=C(C(=O)NNC(=O)C2CCN(CC2)C(=O)OC(C)(C)C)C=CN1)(F)F | 3 |
C(C)(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)NCC(=O)NC1=C(C=CC=C1)C(C1=NC=CC(=C1)Br)=O>C(C)OCC.Cl.O1CCOCC1>Cl.Cl.Cl.N[C@@H](CCCCN)C(=O)NCC(=O)NC1=C(C=CC=C1)C(C1=NC=CC(=C1)Br)=O | 3 |
CC1CCCC(C)(C)C=1/C=C/C(/C)=C/C=C/C(/C)=C/CO.[BrH:22].[C:23]1([PH+:29]([C:36]2[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=2)[C:30]2[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=2)[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1>C1(C)C=CC=CC=1>[Br-:22].[C:36]1([PH+:29]([C:23]2[CH:24]=[CH:25][CH:26]=[CH:27][CH:28]=2)[C:30]2[CH:35]=[CH:34][CH:33... | 1 |
COC=O.COC(CCC=1C=NC(=NC1)C)=O>>CC1=NC=C(C=N1)CC=1C(NC(NC1)=S)=O | 5 |
FC1=C(OC2=CC3=C(N=C(S3)NC(=O)C3CC3)C=C2)C=CC(=C1)[N+](=O)[O-]>O.CCO[H].[Cl-].[NH4+].[Fe]>NC1=CC(=C(OC2=CC3=C(N=C(S3)NC(=O)C3CC3)C=C2)C=C1)F | 3 |
[N:1]1[CH:6]=[CH:5][N:4]=[C:3](C(N)=O)[C:2]=1[C:10]([NH2:12])=[O:11].C([O-])(=O)C.C([O-])(=O)C.C([O-])(=O)C.C([O-])(=O)C.[Pb+4].C[N:31](C)[CH:32]=[O:33]>>[NH:31]1[C:3]2[N:4]=[CH:5][CH:6]=[N:1][C:2]=2[C:10](=[O:11])[NH:12][C:32]1=[O:33] | 1 |
[CH2:1]([O-:4])[CH:2]=[CH2:3].[Na+].[Na].[CH3:7][S:8][C:9]1[N:14]=[C:13]([NH:15][CH:16]([CH3:18])[CH3:17])[C:12]([N+:19]([O-:21])=[O:20])=[C:11](Cl)[N:10]=1>C(O)C=C>[CH3:7][S:8][C:9]1[N:14]=[C:13]([NH:15][CH:16]([CH3:18])[CH3:17])[C:12]([N+:19]([O-:21])=[O:20])=[C:11]([O:4][CH2:1][CH:2]=[CH2:3])[N:10]=1 | 1 |
NC1=NC(=NC=C1)C.[Si](C)(C)(C(C)(C)C)OC[C@H](C1=CC(=C(C=C1)Cl)F)N1C(C=C(C=C1)C1=NC(=NC=C1)S(=O)(=O)C)=O>C(C)(CC)O>[Si](C)(C)(C(C)(C)C)OC[C@H](C1=CC(=C(C=C1)Cl)F)N1C(C=C(C=C1)C1=NC(=NC=C1)NC1=NC(=NC=C1)C)=O | 3 |
C12(CC3CC(CC(C1)C3)C2)C2=NC=3N(C(=C2)C(=C)C)N=C(C3)C(=O)OCC>[HH].C(C)(=O)OCC.[Pd]>C12(CC3CC(CC(C1)C3)C2)C2=NC=3N(C(=C2)C(C)C)N=C(C3)C(=O)OCC | 3 |
[CH2:1]([N:3]1[CH2:8][C:7]([CH3:10])([CH3:9])[O:6][C:5](=[O:11])[CH:4]1[C:12]([CH3:17])([CH3:16])[C:13]([OH:15])=O)[CH3:2].C(N(C(C)C)CC)(C)C.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[CH:51]([C:54]1[CH:60]=[CH:59][C:57]([NH2:58])=[CH:56][CH:55]=1)([CH3:53])[CH3:52]>CN(C=O)C>[CH2:1]([N:3]1[CH2:8][C:7]([CH3:... | 2 |
[N+](=O)([O-])C1=CC=C(C=C1)NC=1SC=C(N1)C1=CC=NC=C1>CCO[H].[HH].[Pd]>N1=CC=C(C=C1)C=1N=C(SC1)NC1=CC=C(C=C1)N | 3 |
[CH3:1][N:2]1[C:6]([CH3:7])=[C:5]([N+:8]([O-])=O)[C:4]([CH3:11])=[N:3]1.Cl.O>CCO.[Fe]>[CH3:1][N:2]1[C:6]([CH3:7])=[C:5]([NH2:8])[C:4]([CH3:11])=[N:3]1 | 2 |
C(C)(C)(C)OC(=O)N1C(CCCC1)C(N)=O>>C(C)(C)(C)OC(=O)N1C(CCCC1)C#N | 5 |
ClC1=C(C(=O)N2CCC(CC2)C(=O)OCC)C=CC(=C1CC1=CC=2C(=NC(=CC2C)C(F)(F)F)N1C)Cl>O.C1CCCO1.O[Li].O>ClC1=C(C(=O)N2CCC(CC2)C(=O)O)C=CC(=C1CC1=CC=2C(=NC(=CC2C)C(F)(F)F)N1C)Cl | 3 |
C(C1C=CC(C(C2C=CC(CC(C)C)=CC=2)CC2C=C(C=CC=2)C(O)=O)=CC=1)C(C)C.[CH2:32]([C:36]1[CH:41]=[CH:40][C:39]([CH:42]([C:53]2[CH:58]=[CH:57][C:56]([CH2:59][CH:60]([CH3:62])[CH3:61])=[CH:55][CH:54]=2)[CH2:43][C:44]2[CH:45]=[C:46]([CH:50]=[CH:51][CH:52]=2)[C:47](Cl)=[O:48])=[CH:38][CH:37]=1)[CH:33]([CH3:35])[CH3:34].C(Cl)(=O)C(C... | 1 |
[Cl:1][C:2]1[CH:3]=[C:4]2[C:8](=[C:9]([NH:11][CH:12]3[CH2:16][CH2:15][CH2:14][CH2:13]3)[CH:10]=1)[NH:7][C:6]([C@H:17]1[CH2:21][O:20]C(C)(C)[NH:18]1)=[CH:5]2.C(O)(C(F)(F)F)=O>CO>[NH2:18][C@@H:17]([C:6]1[NH:7][C:8]2[C:4]([CH:5]=1)=[CH:3][C:2]([Cl:1])=[CH:10][C:9]=2[NH:11][CH:12]1[CH2:16][CH2:15][CH2:14][CH2:13]1)[CH2:21]... | 2 |
[F:1][C:2]1[CH:9]=[CH:8][C:5]([CH:6]=O)=[CH:4][CH:3]=1.[NH:10]1[CH2:15][CH2:14][CH2:13][CH2:12][CH2:11]1.CC(O)=O>ClCCCl>[F:1][C:2]1[CH:9]=[CH:8][C:5]([CH2:6][N:10]2[CH2:15][CH2:14][CH2:13][CH2:12][CH2:11]2)=[CH:4][CH:3]=1 | 1 |
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([S:8][CH:9]2[CH2:14][CH2:13][N:12]([C:15]([O:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:16])[CH2:11][CH2:10]2)=[CH:4][CH:3]=1.C(N(CC)CC)C.[C:29](Cl)(=[O:31])[CH3:30]>ClCCl.O>[C:29]([NH:1][C:2]1[CH:7]=[CH:6][C:5]([S:8][CH:9]2[CH2:10][CH2:11][N:12]([C:15]([O:17][C:18]([CH3:21])([CH3:20])[CH... | 1 |
FC1=CC=CC2=C1N=C(O2)C=2C=C(C=CC2[N+](=O)[O-])C=2C(=CC1=C(C(=C(O1)C1=CC=C(C=C1)F)C(=O)NC)C2)N(S(=O)(=O)C)C>>NC1=C(C=C(C=C1)C=1C(=CC2=C(C(=C(O2)C2=CC=C(C=C2)F)C(=O)NC)C1)N(S(=O)(=O)C)C)C=1OC2=C(N1)C(=CC=C2)F | 5 |
CC1=CC(=C(C=C1C)N)N.FC(C(C(=O)O)O)(F)F>Cl>CC1=CC2=C(NC(=N2)C(C(F)(F)F)O)C=C1C | 3 |
C(=O)([O-])[O-].[Cs+].[Cs+].FC(F)(F)S(O[CH2:13][C:14]([F:17])([F:16])[F:15])(=O)=O.[Br:20][C:21]1[C:22]([C:28]2[S:29][CH:30]=[CH:31][CH:32]=2)=[N:23][NH:24][C:25]=1[CH:26]=[O:27].O>CN(C)C=O>[Br:20][C:21]1[C:22]([C:28]2[S:29][CH:30]=[CH:31][CH:32]=2)=[N:23][N:24]([CH2:13][C:14]([F:15])([F:16])[F:17])[C:25]=1[CH:26]=[O:2... | 1 |
BrC1=NN(N=C1)C.FC1=NC=CC(=C1OC)B(O)O>O1CCOCC1.P(=O)([O-])([O-])[O-].[K+].[K+].[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]>FC1=NC=CC(=C1OC)C1=NN(N=C1)C | 3 |
FC(F)(F)S([O-])(=O)=O.[C:9]1([S+:15]([C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)[C:16]2[CH:21]=[CH:20][C:19]([OH:22])=[CH:18][CH:17]=2)[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1.[Na].[F:30][C:31]([F:50])([S:46]([OH:49])(=[O:48])=[O:47])[CH2:32][O:33][C:34]([C:36]12[CH2:45][CH:40]3[CH2:41][CH:42]([CH2:44][CH:38]([CH2:3... | 1 |
ClC=1C=C2C(=CN=C(C2=CN1)NC)C1=CC=CC=C1>CC(C)(C)[O-].[K+].O1CCOCC1.C(C)(C)N.ClC1=CN=CC=C1.C(CC(CCC)C2=C(C(=CC=C2)C(CCC)CCC)N4C(=C(N(C3=C(C=CC=C3C(CCC)CCC)C(CCC)CCC)C4=[Pd](Cl)Cl)Cl)Cl)C>C(C)(C)N(C1=NC=C(C2=CC(=NC=C12)N)C1=CC=CC=C1)C | 3 |
C[C@@H]1N(CCN(C1)CC1=CC=C(C=C1)NC)C(=O)OC(C)(C)C.BrC=1C=CC(=NC1)C(=O)Cl>>BrC=1C=CC(=NC1)C(=O)N(C1=CC=C(C=C1)CN1C[C@@H](N(CC1)C(=O)OC(C)(C)C)C)C | 5 |
N1=C(C=CC=C1)CCN1CCNCC1.BrC1=CC=CC=2C=C(OC21)C(=O)OCC>>N1=C(C=CC=C1)CCN1CCN(CC1)C1=CC=CC=2C=C(OC21)C(=O)OCC | 5 |
C1=NC=CC=2CCCCC12.CS(=O)(=O)OCCCCSSCCCCOS(=O)(=O)C>CC#N.C([O-])([O-])=O.[K+].[K+]>CS(=O)(=O)[O-].CS(=O)(=O)[O-].S(SCCCC[N+]1=CC=2CCCCC2C=C1)CCCC[N+]1=CC=2CCCCC2C=C1 | 3 |
C1(CCCCC1)N.C1(CCCCC1)N.C(C)(C)(C)OC(C[C@H](C(=O)O)CCCC1=CC=CC=C1)=O>>C1(CCCCC1)N.C(C)(C)(C)OC(C[C@H](C(=O)O)CCCC1CCCCC1)=O | 5 |
IC1=C(C(=O)N(C)OC)C=CC(=C1)[N+](=O)[O-]>C1CCCO1.CC(C)C[AlH]CC(C)C>IC1=C(C=O)C=CC(=C1)[N+](=O)[O-] | 3 |
C(C)(C)(C)OC(=O)NC1CNCC1.ClC1=NC=NC2=CC(=CC=C12)F>O.CS(=O)C.C(C)(C)N(C(C)C)CC>C(C)(C)(C)OC(NC1CN(CC1)C1=NC=NC2=CC(=CC=C12)F)=O | 3 |
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