smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
Cl[C:2]1[C:11]2[C:6](=[CH:7][C:8]([Cl:12])=[CH:9][CH:10]=2)[N:5]=[CH:4][CH:3]=1.[CH2:13]([N:15]([CH2:22][CH3:23])[CH:16]1[CH2:20][CH2:19][CH2:18][CH:17]1[NH2:21])[CH3:14].Cl>C(O)(C)C>[Cl:12][C:8]1[CH:7]=[C:6]2[C:11]([C:2]([NH:21][CH:17]3[CH2:18][CH2:19][CH2:20][CH:16]3[N:15]([CH2:22][CH3:23])[CH2:13][CH3:14])=[CH:3][CH... | 1 |
C(OC(=O)[N:7]([C:17]1[CH:22]=[CH:21][C:20]([CH:23]([OH:43])[C:24]2[C:32]3[CH:31]=[N:30][CH:29]=[N:28][C:27]=3[N:26]([Si](C(C)C)(C(C)C)C(C)C)[CH:25]=2)=[C:19]([CH3:44])[N:18]=1)[CH2:8][C:9]1[CH:10]=[N:11][C:12]([O:15][CH3:16])=[CH:13][CH:14]=1)(C)(C)C.C([SiH](CC)CC)C.FC(F)(F)C(O)=O>ClCCCl>[CH3:16][O:15][C:12]1[N:11]=[CH... | 1 |
O=[C:2]([CH3:12])[CH:3]([C:6]1[CH:7]=[N:8][CH:9]=[CH:10][CH:11]=1)[C:4]#[N:5].Br.[NH2:14][NH2:15]>CCO.O>[CH3:12][C:2]1[NH:15][N:14]=[C:4]([NH2:5])[C:3]=1[C:6]1[CH:7]=[N:8][CH:9]=[CH:10][CH:11]=1 | 1 |
C(C1=CC=CC=C1)Br.[Si](C)(C)(C(C)(C)C)OC[C@@H]1[C@H]([C@@H]([C@H]([C@](O1)(OC)C1=CC(=C(C=C1)Cl)CC1=C(C(=C(C=C1)OCC)F)F)O)O)O>C1CCCO1.[H-].[Na+].[I-].C(CCC)[N+](CCCC)(CCCC)CCCC>C(C)(C)(C)[Si](OC[C@H]1O[C@@]([C@@H]([C@H]([C@@H]1OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)(OC)C1=CC(=C(C=C1)Cl)CC1=C(C(=C(C=C1)OCC)F)F)(C)C | 3 |
[I:1][C:2]1[CH:9]=[CH:8][CH:7]=[CH:6][C:3]=1[CH2:4]O.P(Br)(Br)[Br:11]>C(Cl)Cl>[I:1][C:2]1[CH:9]=[CH:8][CH:7]=[CH:6][C:3]=1[CH2:4][Br:11] | 1 |
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.ClC1=CC(=C(N)C=C1)[C@](C(F)(F)F)(C#CC1CC1)O>>C1=CC2=C(C=C1Cl)[C@@](OC(=O)N2)(C#CC3CC3)C(F)(F)F | 5 |
[C:1]([C:4]1[CH:9]=[CH:8][C:7]([S:10]([NH2:13])(=[O:12])=[O:11])=[CH:6][CH:5]=1)(=[O:3])[CH3:2].[CH2:14]([N:18]1[CH:22]=[N:21][N:20]=[C:19]1[C:23]1[C:24]([O:33][CH3:34])=[CH:25][C:26]([O:31][CH3:32])=[C:27]([CH:30]=1)[CH:28]=O)[CH:15]([CH3:17])[CH3:16].C[O-].[Li+]>CN(C)C=O>[CH2:14]([N:18]1[CH:22]=[N:21][N:20]=[C:19]1[C... | 1 |
ClC=1C=C(OC(C(=O)NC(C#CCCCCl)(C)C)CC)C=C(C1)Cl>>ClC=1C=C(OC(C(=O)NC(C#CCCCOC)(C)C)CC)C=C(C1)Cl | 5 |
C1(S(O)(=O)=O)C=CC=CC=1.[CH2:11]([N:18]1[CH2:22][CH:21]([OH:23])[CH:20]([OH:24])[CH2:19]1)[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1.C(N(CC)CC)C.[H-].[Na+].S(O[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH3:46])(=O)(=O)C.C([O-])([O-])=O.[K+].[K+].S(O[C:58](=O)[CH2:59][CH2:60][CH2:61][CH2:62][CH2:63][CH... | 1 |
O=C1CN(CCCC1)C(=O)OC(C)(C)C>O.CCO[H].[C-]#N.[K+].C([O-])([O-])=O.[NH4+].[NH4+]>O=C1NC2(C(N1)=O)CN(CCCC2)C(=O)OC(C)(C)C | 3 |
[Cl:1][C:2]1[CH:10]=[CH:9][C:5]([C:6](O)=[O:7])=[CH:4][C:3]=1[CH:11]([CH3:30])[C:12]([OH:29])([C:17]1[CH:18]=[CH:19][C:20]2[O:25][CH2:24][C:23](=[O:26])[N:22]([CH3:27])[C:21]=2[CH:28]=1)[C:13]([F:16])([F:15])[F:14].Cl.C[O:33][C:34](=[O:39])[CH2:35][CH2:36][CH2:37][NH2:38]>>[Cl:1][C:2]1[CH:10]=[CH:9][C:5]([C:6]([NH:38][... | 1 |
C1(=CC=CC=C1)CS(=O)(=O)C=1C=C2CC(NC2=CC1)=O.CC1=C(NC(=C1CC(=O)N1CCOCC1)C)C=O>>CC1=C(NC(=C1CC(=O)N1CCOCC1)C)\C=C\1/C(NC2=CC=C(C=C12)S(=O)(=O)CC1=CC=CC=C1)=O | 5 |
C(C1=CC=CC=C1)N.ClC1=NC(=NC(=N1)N1CCOCC1)N1C(=NC2=C1C=CC=C2)C(F)F>>C(C1=CC=CC=C1)NC1=NC(=NC(=N1)N1C(=NC2=C1C=CC=C2)C(F)F)N2CCOCC2 | 5 |
C(C)OC(=O)C=1N(C=C(C1)F)CC(=O)C1=CC=C(C=C1)Br>>BrC1=CC=C(C=C1)C=1NC(C=2N(C1)C=C(C2)F)=O | 5 |
ClC=1C(=CC(=NC1)OC)C=1C(=NC=C(C1)F)N>>FC=1C=C2C(=NC1)NC1=CN=C(C=C12)OC | 5 |
[F:1][C:2]1[CH:3]=[C:4]([CH:8]=[C:9]([F:12])[C:10]=1[F:11])[C:5]([OH:7])=O.Cl.C(N=C=NCCCN(C)C)C.ClCCl.[CH2:28]([NH:30][CH2:31][CH3:32])[CH3:29]>CN(C)C1C=CN=CC=1.O>[CH2:28]([N:30]([CH2:31][CH3:32])[C:5](=[O:7])[C:4]1[CH:8]=[C:9]([F:12])[C:10]([F:11])=[C:2]([F:1])[CH:3]=1)[CH3:29] | 2 |
NC=1C=C(C=CC1N)C=1C=CC2=C(CN(CCO2)C(=O)C2=CC=C(C=C2)S(=O)(=O)C)C1>>CS(=O)(=O)C1=CC=C(C=C1)C(=O)N1CCOC2=C(C1)C=C(C=C2)C2=CC1=C(NC(N1)=O)C=C2 | 5 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.CN1C=NC=2CNCCC21>ClCCl.C(O)([O-])=O.[Na+]>CN1C=NC=2CN(CCC21)C(=O)OC(C)(C)C | 3 |
[S-]C#N.[NH4+].FC1=C(C(=C(C(=C1F)F)F)F)C(CBr)=O>CC#N>FC1=C(C(=C(C(=C1F)F)F)F)C(CSC#N)=O | 3 |
BrC1=CC(=C(C(=O)Cl)C=C1)C>>BrC1=CC(=C(C(=O)N(C)OC)C=C1)C | 5 |
COC=1C=C(C=CC1)[C@@H](C)N.BrC=1SC(=CN1)C(=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>BrC=1SC(=CN1)C(=O)N[C@H](C)C1=CC(=CC=C1)OC | 3 |
[C:1]([NH:11][CH2:12][C:13]1[CH:21]=[CH:20][C:16]([C:17]([OH:19])=O)=[CH:15][CH:14]=1)(=[O:10])[CH:2]=[CH:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1.[F:22][C:23]1[CH:28]=[CH:27][C:26]([NH2:29])=[C:25]([NH2:30])[CH:24]=1.FC(F)(F)C(O)=O>O1CCCC1>[NH2:30][C:25]1[CH:24]=[C:23]([F:22])[CH:28]=[CH:27][C:26]=1[NH:29][C:17](=[O... | 1 |
OCCCCCCCCCCCC(=O)O>>OCCCCCCCCCCCC(=O)OC | 5 |
[C:1]([C:3]1[C:8]([NH:9][CH2:10][CH2:11][NH:12][C:13](=O)OCC2C=CC=CC=2)=[CH:7][CH:6]=[CH:5][N:4]=1)#N.Cl.[OH2:24].[CH3:25][OH:26]>>[CH3:13][NH:12][CH2:11][CH2:10][NH:9][C:8]1[C:3]([C:1]([O:26][CH3:25])=[O:24])=[N:4][CH:5]=[CH:6][CH:7]=1 | 1 |
Cl[CH2:2][C:3]1[CH:7]=[C:6]([C:8]2[CH:13]=[CH:12][C:11]([Cl:14])=[CH:10][CH:9]=2)[O:5][N:4]=1.C[O:16][C:17](=[O:30])[CH2:18][O:19][C:20]1[CH:28]=[CH:27][C:26]([SH:29])=[C:25]2[C:21]=1[CH2:22][CH2:23][CH2:24]2>>[Cl:14][C:11]1[CH:12]=[CH:13][C:8]([C:6]2[O:5][N:4]=[C:3]([CH2:2][S:29][C:26]3[CH:27]=[CH:28][C:20]([O:19][CH2... | 1 |
O=C1NC(CCC1N1C(C2=CC=CC(=C2C1=O)F)=O)=O.NCCCCCCCCN(C(OC(C)(C)C)=O)C>N(C)(C)C=O.C(C)(C)N(C(C)C)CC>O=C1NC(CCC1N1C(C2=CC=CC(=C2C1=O)NCCCCCCCCN(C(OC(C)(C)C)=O)C)=O)=O | 3 |
Cl.[NH2:2][OH:3].[OH-].[Na+].[C:6]1([P:12](Cl)([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)=[O:13])[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1>O.O1CCOCC1>[C:6]1([P:12]([O:3][NH2:2])([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)=[O:13])[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1 | 1 |
[N+:1]([C:4]1[CH:5]=[C:6]([CH:8]=[CH:9][CH:10]=1)[NH2:7])([O-:3])=[O:2].[CH3:11][N:12]1[C:16]([C:17](Cl)=[O:18])=[CH:15][C:14]([CH3:20])=[N:13]1.O>CN(C)C(=O)C>[CH3:11][N:12]1[C:16]([C:17]([NH:7][C:6]2[CH:8]=[CH:9][CH:10]=[C:4]([N+:1]([O-:3])=[O:2])[CH:5]=2)=[O:18])=[CH:15][C:14]([CH3:20])=[N:13]1 | 1 |
[H-].[H-].[H-].[H-].[Li+].[Al+3].[CH2:7]1[CH2:12][CH2:11][C:10]2([CH2:19][C:17](=O)[NH:16][C:14](=O)[CH2:13]2)[CH2:9][CH2:8]1>C1COCC1>[CH2:13]1[C:10]2([CH2:11][CH2:12][CH2:7][CH2:8][CH2:9]2)[CH2:19][CH2:17][NH:16][CH2:14]1 | 2 |
BrCC(=O)OCC.C(C)OC(C1=CC=C(C=C1)C1=CC=C(C=C1)O)=O>>C(C)OC(=O)COC1=CC=C(C=C1)C1=CC=C(C=C1)C(=O)OCC | 5 |
N[C@@H](COC1=CC2=C(CCN(CC2)C(=O)OCC)C=C1Br)C>C1(=CC=CC=C1)C.[Pd].[Pd].O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.CC(C)(C)[O-].[Na+].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>C[C@H]1NC2=CC3=C(CCN(CC3)C(=O)OCC)C=C2OC1 | 3 |
N(=[N+]=[N-])C1=C(C=CC=C1Cl)Cl.CC(C#CCO)C.ClC1=C(C(=CC=C1)Cl)N1N=NC(=C1C(C)C)CO>>ClC1=C(C(=CC=C1)Cl)N1N=NC(=C1CO)C(C)C | 5 |
Br[C:2]1[CH:11]=[C:10]2[C:5]([N:6]=[CH:7][C:8]3[N:9]2[C:12]([CH3:15])=[N:13][N:14]=3)=[CH:4][CH:3]=1.[CH3:16][O:17][C:18]1[C:23]([NH2:24])=[CH:22][C:21](B2OC(C)(C)C(C)(C)O2)=[CH:20][N:19]=1.C([O-])([O-])=O.[K+].[K+]>CN(C=O)C.O.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+... | 1 |
CN1C=NC=C1CNC=1C=C(C(=O)OC)C=CC1[N+](=O)[O-]>CO[H].[HH].[Pd]>NC1=C(C=C(C(=O)OC)C=C1)NCC1=CN=CN1C | 3 |
C(C)OC(CSC1=C(C(=NC=C1)N[C@@H](C)C1=CC=C(C(=O)OC)C=C1)[N+](=O)[O-])=O>[Fe].C(C)(=O)O.C(O)([O-])=O.[Na+]>O=C1NC2=C(SC1)C=CN=C2N[C@@H](C)C2=CC=C(C(=O)OC)C=C2 | 3 |
O1C(OCC1)C1=C(C=C(S1)C=CC=1N=C(SC1)NC(C)=O)C>[HH].C(C)(=O)OCC.[Pd].C(C)(=O)O>C(=O)C1=C(C=C(S1)CCC=1N=C(SC1)NC(C)=O)C | 3 |
Cl[C:2]1[CH:7]=[C:6]([Cl:8])[N:5]=[C:4]([NH2:9])[N:3]=1.C(=O)([O-])[O-].[Na+].[Na+].[CH:16]1([C:19]2[C:26](B3OC(C)(C)C(C)(C)O3)=[CH:25][C:22]([C:23]#[N:24])=[C:21]([N:36]3[CH2:41][CH2:40][N:39]([C:42](=[O:46])[CH2:43][CH2:44][OH:45])[C@H:38]([CH:47]4[CH2:49][CH2:48]4)[CH2:37]3)[N:20]=2)[CH2:18][CH2:17]1>C(COC)OC.C1C=CC... | 2 |
N1=CC=C(C=C1)NC.C(C)(C)(C)OC(N(CC1=CC=C(C=C1)Br)C1CCN(CC1)CC1=CC=CC=C1)=O>O1CCOCC1.CC(C)(C)[O-].[Na+]>C(C)(C)(C)OC(N(CC1=CC=C(C=C1)N(C1=CC=NC=C1)C)C1CCN(CC1)CC1=CC=CC=C1)=O | 3 |
ClC1=CC=C(S1)CNC1=CC(=NN1C(=O)C1(CCOCC1)C)C1N(CCC1)C(=O)OCC1C2=CC=CC=C2C=2C=CC=CC12>CO[H].C(O)([O-])=O.[Na+]>ClC1=CC=C(S1)CNC1=CC(=NN1C(=O)C1(CCOCC1)C)C1NCCC1 | 3 |
[C:1]1([CH2:7][CH2:8][CH:9]([OH:18])[CH2:10][CH2:11][C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[CH3:19][O:20][CH2:21]Cl>ClCCl.C(OCC)(=O)C.C(N(C(C)C)C(C)C)C>[C:12]1([CH2:11][CH2:10][CH:9]([O:18][CH2:19][O:20][CH3:21])[CH2:8][CH2:7][C:1]2[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=2)[CH:13]=[C... | 1 |
[OH-].[Na+].C[O:4][C:5]([C:7]1[CH:12]=[CH:11][C:10]([C:13]2[CH:18]=[CH:17][C:16]([C:19]([F:22])([F:21])[F:20])=[CH:15][CH:14]=2)=[C:9]([CH3:23])[CH:8]=1)=[O:6]>CO>[CH3:23][C:9]1[CH:8]=[C:7]([C:5]([OH:6])=[O:4])[CH:12]=[CH:11][C:10]=1[C:13]1[CH:18]=[CH:17][C:16]([C:19]([F:20])([F:21])[F:22])=[CH:15][CH:14]=1 | 1 |
[F:1][C:2]1[CH:39]=[CH:38][CH:37]=[C:36]([F:40])[C:3]=1[CH2:4][O:5][C:6]1[C:7]2[N:8]([C:12]([C:16]([NH:18][CH:19]3[C:28]4[C:23](=[CH:24][CH:25]=[CH:26][CH:27]=4)[N:22](C(OC(C)(C)C)=O)[CH2:21][CH2:20]3)=[O:17])=[C:13]([CH3:15])[N:14]=2)[CH:9]=[CH:10][CH:11]=1.Cl>C(OCC)C>[F:1][C:2]1[CH:39]=[CH:38][CH:37]=[C:36]([F:40])[C... | 1 |
C(C)OC(CC(=CC#N)C1=CC=CC=C1)=O>C(CN)N>C1(=CC=CC=C1)C=1C=C2N(C(C1)=O)CCN2 | 3 |
C(C)(C)(C)OC([C@@H](CC=1C=C(C=CC1)B(O)O)[C@@H]1CN(CC1)C(=O)OC(C)(C)C)=O>O(O[H])[H].C1CCCO1.S([O-])(O)(=O)=O.[Na+]>C(C)(C)(C)OC([C@@H](CC1=CC(=CC=C1)O)[C@@H]1CN(CC1)C(=O)OC(C)(C)C)=O | 3 |
[C@]12(CS(O)(=O)=O)C(C)(C)C(CC1)CC2=O.[NH2:16][C:17]1[CH:45]=[CH:44][C:20]([O:21][C:22]2[CH:27]=[CH:26][N:25]=[C:24]([NH:28][C:29](=[O:43])[N:30]([CH:32]3[CH2:37][CH2:36][N:35]([CH2:38][CH2:39][N:40]([CH3:42])[CH3:41])[CH2:34][CH2:33]3)[CH3:31])[CH:23]=2)=[CH:19][CH:18]=1.[F:46][C:47]1[CH:52]=[CH:51][C:50]([CH2:53][C:5... | 1 |
[CH3:1][CH:2]1[O:6][C:5]2[CH:7]=[C:8]([N+:15]([O-:17])=[O:16])[C:9]([NH:11]C(C)=O)=[CH:10][C:4]=2[O:3]1.C[O-].[Na+].C(O)(=O)C>CO>[CH3:1][CH:2]1[O:6][C:5]2[CH:7]=[C:8]([N+:15]([O-:17])=[O:16])[C:9]([NH2:11])=[CH:10][C:4]=2[O:3]1 | 1 |
OO.[Cl:3][C:4]1[N:5]=[N:6][C:7]([Cl:10])=[CH:8][CH:9]=1.C1(=O)OC(=[O:15])C=C1.C(O)(=O)/C=C/C.[OH-].[Na+]>ClCCl.CCCCCCC>[Cl:3][C:4]1[N:5]=[N+:6]([O-:15])[C:7]([Cl:10])=[CH:8][CH:9]=1 | 2 |
BrC1=CC=C(C=C1)OCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F.FC1=C(C=CC=C1F)B(O)O>C([O-])([O-])=O.[Na+].[Na+].COCCOC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>FC1=C(C=CC=C1F)C1=CC=C(C=C1)OCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F | 3 |
[Si](C)(C)(C(C)(C)C)OC(CCOC1=NN(C=C1)C1=CC=C(C(=N1)Cl)C(=O)OC(C)(C)C)C1(CC1)C(F)(F)F>ClCCl.C(=O)(C(F)(F)F)O>[Si](C)(C)(C(C)(C)C)OC(CCOC1=NN(C=C1)C1=CC=C(C(=N1)Cl)C(=O)O)C1(CC1)C(F)(F)F | 3 |
[Si](C)(C)(C(C)(C)C)OCC=1N(C2=CC3=C(C=C2C1)C(CCCCC3)O)C>ClCCl.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O.C(O)([O-])=O.[Na+]>[Si](C)(C)(C(C)(C)C)OCC=1N(C2=CC3=C(C=C2C1)C(CCCCC3)=O)C | 3 |
C(C)(=O)C=1C=C(C(=O)OC)C=CC1N1N=CC=C1>ClCCl.O(C(C)(C)C)C.CCCCCC.N(CCO)CCO.ClB([C@H]1[C@@H](C2CCC(C1)C2(C)C)C)[C@H]2[C@@H](C1CCC(C2)C1(C)C)C>O[C@@H](C)C=1C=C(C(=O)OC)C=CC1N1N=CC=C1 | 3 |
[Al+3].[Cl-].[Cl-].[Cl-].[CH2:5]1[C:18](=[O:19])[O:17][C:15](=[O:16])[CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6]1.[CH:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1>>[C:15]([CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][C:18]([OH:17])=[O:19])(=[O:16])[C:20]1[CH:25]=[CH... | 1 |
N(=[N+]=[N-])C(C)C=1N=C2N(C(C1C1=CC=NC=C1)=O)C(=CS2)C>O.C1CCCO1.C(C)(=O)OCC.CP(C)C>NC(C)C=1N=C2N(C(C1C1=CC=NC=C1)=O)C(=CS2)C | 3 |
O(C1=CC=CC=C1)C1=CC=C(N)C=C1.ClC1=C(C(=O)Cl)C=CC=N1>ClCCl.C(C)(=O)OCC.C(C)(C)N(C(C)C)CC>ClC1=NC=CC=C1C(=O)NC1=CC=C(C=C1)OC1=CC=CC=C1 | 3 |
[F:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[C:7](=O)[CH2:6][CH2:5]2.[C-]#[N:13].[K+].[C:15](=[O:18])([O-])[O-].[NH4+].[NH4+].Cl.C[N:23](C)[CH:24]=[O:25]>O>[F:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[C:7]1([C:24](=[O:25])[NH:23][C:15](=[O:18])[NH:13]1)[CH2:6][CH2:5]2 | 1 |
F[C:2]1[CH:13]=[CH:12][C:5]2[C:6](=[O:11])[N:7]([CH3:10])[CH2:8][O:9][C:4]=2[CH:3]=1.[OH:14][C:15]1[CH:16]=[C:17]([CH:28]=[C:29]([O:31][C@H:32]2[CH2:36][CH2:35][O:34][CH2:33]2)[CH:30]=1)[C:18]([NH:20][C:21]1[CH:26]=[N:25][C:24]([CH3:27])=[CH:23][N:22]=1)=[O:19]>>[CH3:10][N:7]1[C:6](=[O:11])[C:5]2[CH:12]=[CH:13][C:2]([O... | 1 |
C(C)(C)(C)OC(=O)N1CCC(CC1)C1=CC(=C(C=C1)F)N.COC1=C(C=CC=C1)CCCCC(=O)O>>FC1=C(C=C(C=C1)C1CCN(CC1)C(=O)OC(C)(C)C)NC(CCCCC1=C(C=CC=C1)OC)=O | 5 |
ClC=1C=C(C=CC1OC(C)C)C1=NC(=NO1)C=1C(=C(C=CC1)CCC(=O)OCC)C>>ClC=1C=C(C=CC1OC(C)C)C1=NC(=NO1)C=1C(=C(C=CC1)CCC(=O)O)C | 5 |
ON(C(C)(C(C)(N)C)C)O>O.I(=O)(=O)(=O)[O-].[Na+].C(Cl)(Cl)Cl.CO>CC1([N+](=[N+](C1(C)C)[O-])[O-])C | 3 |
C(#N)C=1C=NN2C1C(=CC(=C2)OCC=2C=NC=CC2)C=2C=CC(=NC2)N2CCN(CC2)C(=O)OC(C)(C)C>ClCCl.C(=O)(C(F)(F)F)O.C(O)([O-])=O.[Na+]>N1(CCNCC1)C1=CC=C(C=N1)C=1C=2N(C=C(C1)OCC=1C=NC=CC1)N=CC2C#N | 3 |
N1(CCOCC1)C(C[C@H](CSC1=CC=CC=C1)N)=O>>N1(CCOCC1)CC[C@H](CSC1=CC=CC=C1)N | 5 |
S(=O)(=O)(O)O.C(OC[O:10][C:11]1[CH:12]=[C:13]([CH:22]=[CH:23][C:24]2[CH:25]=[C:26]([CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][OH:35])[CH:27]=[CH:28][CH:29]=2)[CH:14]=[C:15]([O:17]COCC)[CH:16]=1)C>CO.C1COCC1>[OH:35][CH2:34][CH2:33][CH2:32][CH2:31][CH2:30][C:26]1[CH:25]=[C:24]([CH:23]=[CH:22][C:13]2[CH:12]=[C:11]([OH:10])[... | 1 |
FC(C1=CC=C(C=O)C=C1)(F)F.BrC1=CC=C(C=C1)F>>FC1=CC=C(C=C1)C(O)C1=CC=C(C=C1)C(F)(F)F | 5 |
CC(C)(C#C)O.NC1=C2N=CN(C2=NC(=N1)I)[C@H]1CC[C@H](CC1)C(=O)NC1=CC(=CC=C1)OC>CC#N.[Cu]I.CCN(CC)CC.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]>NC1=C2N=CN(C2=NC(=N1)C#CC(C)(C)O)[C@H]1CC[C@H](CC1)C(=O)NC1=CC(=CC=C1)OC | 3 |
CC(C)(C#C)O.BrC1=CC=C(C=N1)O>CC#N.C(=O)(C(F)(F)F)OC(=O)C(F)(F)F.C1CCC2=NCCCN2CC1>BrC1=CC=C2C(=N1)C=CC(O2)(C)C | 3 |
[CH2:1]([C:3]1([C:13]2[C:14](=[O:25])[N:15]([CH3:24])[N:16]=[C:17]([CH3:23])[C:18]=2S(C)(=O)=O)[CH:8]=[C:7]([CH2:9][CH3:10])[CH:6]=[C:5]([CH2:11][CH3:12])[CH2:4]1)[CH3:2].CN1CCCC1=[O:32].[OH-].[Na+]>O>[CH2:1]([C:3]1([C:13]2[C:14](=[O:25])[N:15]([CH3:24])[N:16]=[C:17]([CH3:23])[C:18]=2[OH:32])[CH:8]=[C:7]([CH2:9][CH3:10... | 1 |
[F:1][C:2]1[CH:9]=[C:6]([CH:7]=[O:8])[C:5]([OH:10])=[CH:4][CH:3]=1.[F:11][C:12]1[CH:19]=[CH:18][C:15]([CH2:16]Br)=[CH:14][CH:13]=1.C([O-])([O-])=O.[K+].[K+].[NH4+].[Cl-]>CN(C=O)C.CCOC(C)=O>[F:1][C:2]1[CH:3]=[CH:4][C:5]([O:10][CH2:16][C:15]2[CH:18]=[CH:19][C:12]([F:11])=[CH:13][CH:14]=2)=[C:6]([CH:9]=1)[CH:7]=[O:8] | 2 |
[CH3:1][S:2](Cl)(=[O:4])=[O:3].[CH3:6][N:7]1[C:12](=[O:13])[CH:11]=[C:10]([C:14]2[CH2:15][CH2:16][NH:17][CH2:18][CH:19]=2)[C:9]([C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][C:21]=2[O:26][C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=2)=[N:8]1.C(N(CC)CC)C>O1CCCC1.C(OCC)(=O)C>[CH3:6][N:7]1[C:12](=[O:13])[CH:11]=[C:10]([C:14]2[CH2... | 2 |
C(C)(=O)N1CCC(CC1)COC1=CC(=C(C(=O)N)C(=C1)F)NC(CC1CCCC1)=O>CCO[H].[OH-].[Na+]>C(C)(=O)N1CCC(CC1)COC1=CC(=C2C(NC(=NC2=C1)CC1CCCC1)=O)F | 3 |
C(OC)(OC)OC.NC1=C(C(=CC=C1)Cl)CO>C(C)(=O)O.[N-]=[N+]=[N-].[Na+]>ClC1=C(C(=CC=C1)N1N=NN=C1)CO | 3 |
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O.N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)OC(C)(C)C>CC#N.N(C)(C)C=O.O.ClCCl.C(=O)(C(F)(F)F)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>O=C(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)O | 3 |
BrCC(=O)OC(C)(C)C.ClC1=CC=C2C(=C1)NC(C21C(NC(CC1C1=CC(=CC=C1)Cl)=O)C1=C(C=CC(=C1)F)C)=O.COC(C)[Si](C)(C)C>>ClC1=CC=C2C(=C1)NC(C21C(N(C(CC1C1=CC(=CC=C1)Cl)=O)CC(=O)OC(C)(C)C)C1=C(C=CC(=C1)F)C)=O.COC(C)[Si](C)(C)C | 5 |
C([Li])CCC.C(NC(C)C)(C)C.[C:13]([O:23][CH2:24][CH3:25])(=[O:22])[C@H:14]([CH2:16][C:17]([O:19][CH2:20][CH3:21])=[O:18])[OH:15].Br[CH2:27][C:28]([O:30][C:31]([CH3:34])([CH3:33])[CH3:32])=[O:29].Cl>CCCCCC.O1CCCC1>[OH:15][C@H:14]([C:13]([O:23][CH2:24][CH3:25])=[O:22])[C@H:16]([C:17]([O:19][CH2:20][CH3:21])=[O:18])[CH2:27]... | 1 |
BrCCOC=1C=CC(=NC1C1=CC=CC=C1)C1=NC2=CC(=CC(=C2C(N1)=O)OC)OC>>C(C)(C)NCCOC=1C=CC(=NC1C1=CC=CC=C1)C1=NC2=CC(=CC(=C2C(N1)=O)OC)OC | 5 |
FC(OC1=CC=C(C=C1)OB(O)O)(F)F.BrC1=C(C=CC=C1)NC(=O)C1=NC=CN=C1C>>FC(OC1=CC=C(C=C1)C1=C(C=CC=C1)NC(=O)C1=NC=CN=C1C)(F)F | 5 |
FC1=C2CCC(C2=C(C=C1)SC(F)(F)F)=O>CC#N.O.ClCCl.C(Cl)(Cl)(Cl)Cl.I(=O)(=O)(=O)[O-].[Na+].[Ru](Cl)(Cl)Cl>FC1=C2CCC(C2=C(C=C1)S(=O)(=O)C(F)(F)F)=O | 3 |
C(#N)C1=CC(=CS1)CN1C([C@H](CC1)N(CC(=O)O)S(=O)(=O)C1=CC2=CC(=CC=C2C=C1)OC)=O>C1CCCO1.CCN(CC)CC.C(C)(=O)OCC.N.ClC(=O)OCC>C(#N)C1=CC(=CS1)CN1C([C@H](CC1)N(CC(=O)N)S(=O)(=O)C1=CC2=CC(=CC=C2C=C1)OC)=O | 3 |
[CH:1]1([CH2:4][S:5][C:6]2[CH:15]=[C:14]3[C:9]([CH:10]=[CH:11][CH:12]=[C:13]3[CH2:16][CH2:17][NH:18][C:19](=[O:24])[CH2:20][CH2:21][CH2:22][Cl:23])=[CH:8][CH:7]=2)[CH2:3][CH2:2]1.I([O-])(=O)(=O)=[O:26].[Na+]>>[CH:1]1([CH2:4][S:5]([C:6]2[CH:15]=[C:14]3[C:9]([CH:10]=[CH:11][CH:12]=[C:13]3[CH2:16][CH2:17][NH:18][C:19](=[O... | 1 |
C1(CCC(=O)O1)=O.COC=1C=C(C=C(C1OC)OC)[C@@H]2C=3C=C4C(=CC3[C@@H]([C@@H]5[C@@H]2C(=O)OC5)O)OCO4>>COC=1C=C(C=C(C1OC)OC)[C@@H]2C=3C=C4C(=CC3[C@@H]([C@@H]5[C@@H]2C(=O)OC5)OC(=O)CCC(=O)O)OCO4 | 5 |
BrC=1C=NC=CC1>>C(C)N(C=1C=NC=CC1)CC | 5 |
C(C)OC(C1=CC(=C(C=C1)NC1CCCCC1)N)=O.C(C)OC(C1=CC(=C(C=C1)NC1CCCCC1)NC(=O)C1=CC=C2C=CC(=NC2=C1)C1=CC=CC=C1)=O>>C(C)OC(C1=CC(=C(C=C1)NC1CCCCC1)NC(=O)C1=CC=C2C=C(C=NC2=C1)C1=CC=CC=C1)=O | 5 |
FC1=C(C#N)C=C(C=C1F)F>O.NN.C(CCC)O>FC=1C=C2C(=NNC2=C(C1)F)N | 3 |
C1(=CC=CC=C1)O.COC(=O)C=1N=CC(=NC1)N1[C@@H](CN(CC1)C=1N=NC(=C(C1C)C)Cl)C>>COC(=O)C=1N=CC(=NC1)N1[C@@H](CN(CC1)C=1N=NC(=C(C1C)C)OC1=CC=CC=C1)C | 5 |
C1(=CC=CC=C1)C1C=CC2=CC=CC=C12>C1(=CC=CC=C1)C.C=O.C1(=CC=C(C=C1)S(=O)(=O)O)C>C1(=CC=CC=C1)C1=C(CC2=CC=CC=C12)CC=1CC2=CC=CC=C2C1C1=CC=CC=C1 | 3 |
Cl[C:2]1[CH:7]=[CH:6][C:5]([CH2:8][O:9][CH3:10])=[CH:4][N:3]=1.[C:11]([Zn]C#N)#[N:12].CN(C=O)C>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>[CH3:10][O:9][CH2:8][C:5]1[CH:6]=[CH:7][C:2]([C:11]#... | 1 |
ClC1C(F)=C(C=C(C(F)(F)F)C=1)CN1CCC(COC2C(C3CC3)=CC(C(O)=O)=C(F)C=2)(F)CC1.[Br:36][C:37]1[C:42]([Cl:43])=[CH:41][C:40]([S:44]([N:47]2[CH2:52][CH2:51][CH:50]([CH2:53][O:54][C:55]3[C:63]([CH:64]4[CH2:66][CH2:65]4)=[CH:62][C:58]([C:59]([OH:61])=O)=[C:57]([F:67])[CH:56]=3)[CH2:49][CH2:48]2)(=[O:46])=[O:45])=[C:39]([F:68])[C... | 2 |
CS(=O)(=O)Cl.OCC(=C)C=1C=C2CCCC(C2=CC1)NC(CC(NS(=O)(=O)C1=CC(=CC=C1)C(F)(F)F)C1=CC=CC=C1)=O>>C1(=CC=CC=C1)C(CC(=O)NC1C=2C=CC(=CC2CCC1)C(COS(=O)(=O)C)=C)NS(=O)(=O)C1=CC(=CC=C1)C(F)(F)F | 5 |
ClC=1C=CC2=C(C(=C(O2)SC2=CC=CN=N2)C)C1>Cl.O1CCOCC1>ClC=1C=CC2=C(C(=C(O2)SC=2C=CC(NN2)=O)C)C1 | 3 |
[CH:1]1[C:14]2[C:5](=[N:6][CH:7]=[C:8]3[C:13]=2[CH:12]=[CH:11][CH:10]=[CH:9]3)[CH:4]=[CH:3][CH:2]=1.[F:15][C:16]([F:31])([F:30])[C:17]1[CH:18]=[C:19]([CH:23]=[C:24]([C:26]([F:29])([F:28])[F:27])[CH:25]=1)[C:20](Cl)=[O:21].[Si]([O:39][C:40]([O:42][CH3:43])=[CH2:41])(C(C)(C)C)(C)C>>[CH3:43][O:42][C:40](=[O:39])[CH2:41][C... | 1 |
C[O:2][C:3]([CH:5]1[CH2:13][C:12]2[C:7](=[CH:8][CH:9]=[CH:10][C:11]=2[F:14])[CH2:6]1)=[O:4]>CC(O)=O>[F:14][C:11]1[CH:10]=[CH:9][CH:8]=[C:7]2[C:12]=1[CH2:13][CH:5]([C:3]([OH:4])=[O:2])[CH2:6]2 | 1 |
[F:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]=[C:7](O)[CH:6]=[C:5]2[NH:13][C:14]1[CH:19]=[CH:18][C:17]([Cl:20])=[C:16]([Cl:21])[CH:15]=1.O=P(Cl)(Cl)[Cl:24]>>[F:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]=[C:7]([Cl:24])[CH:6]=[C:5]2[NH:13][C:14]1[CH:19]=[CH:18][C:17]([Cl:20])=[C:16]([Cl:21])[CH:15]=1 | 1 |
IC1=C(N)C=CC=C1.ClC1=NN(C=C1[N+](=O)[O-])COCC[Si](C)(C)C>[Cu]I.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+]>ClC=1C(=C(N(N1)COCC[Si](C)(C)C)C1=C(N)C=CC=C1)[N+](=O)[O-] | 3 |
BrC1=CC(=C(C=C1)NC(CC1CCN(CC1)C(=O)OC(C)(C)C)=O)O>>BrC1=CC2=C(N=C(O2)CC2CCNCC2)C=C1 | 5 |
C(C)(C)(C)OC(NCCCCCCCCNC=1C=C2C(N(C(C2=CC1)=O)C1C(NC(CC1)=O)=O)=O)=O>ClCCl.C(=O)(C(F)(F)F)O>OC(=O)C(F)(F)F.NCCCCCCCCNC=1C=C2C(N(C(C2=CC1)=O)C1C(NC(CC1)=O)=O)=O | 3 |
FC1=CC=C(CN2C3=C(C4=CC=CC=C24)CC(N(C3)C(=O)OC(C)(C)C)C(NCC(=O)OC)=O)C=C1>>FC1=CC=C(CN2C3=C(C4=CC=CC=C24)CC(NC3)C(=O)NCC(=O)OC)C=C1 | 5 |
ClC=1C=C(C=CC1)C(C(=O)O)C>N(C)(C)C=O.ClCCl.C(C(=O)Cl)(=O)Cl>ClC=1C=C(C=CC1)C(C(=O)Cl)C | 3 |
CN(C(=O)NC1=CC=C(C(=O)OC)C=C1)CCCN(CC(NC1=CC=C(C=C1)OC1=CC=CC=C1)=O)C>CO[H].[OH-].[Na+]>CN(C(=O)NC1=CC=C(C(=O)O)C=C1)CCCN(CC(NC1=CC=C(C=C1)OC1=CC=CC=C1)=O)C | 3 |
CC=1C=C(C=CC1C)N1N=C(C(C1=O)=NNC=1C(=C(C=CC1)C1=CC(=CC=C1)C(=O)O)O)C>N(C)(C)C=O.C1CCCO1.ClS(Cl)=O>CC=1C=C(C=CC1C)N1N=C(/C(/C1=O)=N/NC=1C(=C(C=CC1)C1=CC(=CC=C1)C(=O)Cl)O)C | 3 |
S(=O)(=O)(OC)OC.C(C)(C)(C)OC(=O)N1[C@@H](CC1)CNC(C(F)(F)F)=O>C([O-])([O-])=O.[K+].[K+].CC(=O)C>C(C)(C)(C)OC(=O)N1[C@@H](CC1)CN(C(C(F)(F)F)=O)C | 3 |
Cl.CNOC.FC(C(CC(=O)O)(C)C)F>N(C)(C)C=O.CCN(CC)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>FC(C(CC(=O)N(C)OC)(C)C)F | 3 |
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