smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
II.[N:3]([CH:6]=[CH:7][C:8]1[CH:13]=[CH:12][C:11]([CH3:14])=[CH:10][CH:9]=1)=[C:4]=[O:5]>>[CH3:14][C:11]1[CH:10]=[C:9]2[C:8]([CH:7]=[CH:6][NH:3][C:4]2=[O:5])=[CH:13][CH:12]=1 | 2 |
C(=O)([O-])[O-].[K+].[K+].[CH2:7]([O:14][C:15]1[N:16]=[N:17][C:18]([C:29]#[C:30][Si](C)(C)C)=[CH:19][C:20]=1[O:21][CH2:22][C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1)[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1.CO>O1CCCC1>[CH2:7]([O:14][C:15]1[N:16]=[N:17][C:18]([C:29]#[CH:30])=[CH:19][C:20]=1[O:21][CH2:22][C:23]1[C... | 1 |
[CH3:1][NH:2][CH2:3][C:4]1[CH:9]=[CH:8][N:7]=[CH:6][CH:5]=1.[C:10]1([N:16]=[C:17]=[O:18])[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1>C(Cl)(Cl)Cl>[CH3:1][N:2]([CH2:3][C:4]1[CH:9]=[CH:8][N:7]=[CH:6][CH:5]=1)[C:17]([NH:16][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1)=[O:18] | 1 |
OCC(CC)(C1=CC=C(C=C1)C(F)(F)F)N1N=CC2=C(C=CC=C12)NC(OC(C)(C)C)=O>ClCCl.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O>O=CC(CC)(C1=CC=C(C=C1)C(F)(F)F)N1N=CC2=C(C=CC=C12)NC(OC(C)(C)C)=O | 3 |
ClC1=C(C#N)C(=CC=C1)CBr.COC1=CC=C(C(=O)C2CCN(CC2)C2C(NCC2)=O)C=C1>>ClC1=C(C#N)C(=CC=C1)CN1C(C(CC1)N1CCC(CC1)C(C1=CC=C(C=C1)OC)=O)=O | 5 |
CN1CCC(CC1)OCCCOC=1C=C(C=O)C=CC1.FC=1C(=C(C(=CC1)N)N)C>>FC=1C=CC2=C(NC(=N2)C2=CC(=CC=C2)OCCCOC2CCN(CC2)C)C1C | 5 |
[F:1][C:2]1[CH:3]=[C:4]2[C:17](=[CH:18][CH:19]=1)[C:16]1[C:7](=[C:8]3[C:13](=[CH:14][CH:15]=1)[CH:12]=[C:11]([O:20]S(C)(=O)=O)[CH:10]=[CH:9]3)[CH:6]([C:25]1[CH:30]=[CH:29][C:28]([O:31][CH2:32][CH2:33][N:34]3[CH2:39][CH2:38][CH2:37][CH2:36][CH2:35]3)=[CH:27][CH:26]=1)[S:5]2.[OH-].[K+].[Cl-:42].[NH4+]>CO>[ClH:42].[F:1][C... | 1 |
CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C=2C=CC=CC12.ClC1=C(C(=CC=C1)Cl)CN1CCN(CC1)CC=1C=C2C(=NC1)N(C=C2C2=CC=C(C=C2)OC(F)(F)F)CCCN>N(C)(C)C=O.O.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>ClC1=C(C(=CC=C1)Cl)CN1CCN(CC1)CC=1C=C2C(=NC1)N(C=C2C2=CC=C(C=C2)OC(F)(F)F)CCCNC(=... | 3 |
[Br:1][C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[CH:4][C:3]=1[CH:9]1[C:14]([C:15]([O:17][CH2:18][CH3:19])=[O:16])=[C:13]([CH3:20])[NH:12][C:11]([C:21]2[S:22][C:23]([F:26])=[CH:24][N:25]=2)=[N:10]1.C1C(=O)N([Br:34])C(=O)C1>>[Br:1][C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[CH:4][C:3]=1[CH:9]1[C:14]([C:15]([O:17][CH2:18][CH3:19])=[O:16])=[C:... | 1 |
[C:1]1([CH2:7][O:8][C:9]2[CH:14]=[CH:13][C:12]([NH:15][C:16]3[CH2:20][CH2:19][N:18]([C:21]4[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=4)[N:17]=3)=[CH:11][CH:10]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1>ClCCl.[O-2].[O-2].[Mn+4]>[C:1]1([CH2:7][O:8][C:9]2[CH:14]=[CH:13][C:12]([NH:15][C:16]3[CH:20]=[CH:19][N:18]([C:21]4[CH:22]=[CH:... | 1 |
[Cl:1][C:2]1[C:7]([F:8])=[CH:6][CH:5]=[C:4]([O:9][CH:10]([F:12])[F:11])[C:3]=1[C@H:13]([C:15]1[C:23]2[C:18](=[N:19][CH:20]=[C:21]([C:24]3[CH:25]=[N:26][N:27]([CH:30]4[CH2:33][C:32](=[O:34])[CH2:31]4)[C:28]=3[CH3:29])[CH:22]=2)[NH:17][CH:16]=1)[CH3:14].[BH4-].[Na+].CCO.[NH4+].[Cl-]>>[Cl:1][C:2]1[C:7]([F:8])=[CH:6][CH:5]... | 1 |
CS(=O)(=O)Cl.ClC1=C(C=CC(=C1)Cl)C1=C(C(=NC=2N1C=C(N2)C(=O)OCC)C)CO>>ClCC=1C(=NC=2N(C1C1=C(C=C(C=C1)Cl)Cl)C=C(N2)C(=O)OCC)C | 5 |
Cl.Cl.COC=1C=C2C(C(NC2=CC1)=O)=CC1=CC=C2C(=NNC2=C1)\C=C\C=1C=NC(=CC1)N1CCN(CC1)C>>COC=1C=C2[C@]3(C(NC2=CC1)=O)[C@@H](C3)C3=CC=C1C(=NNC1=C3)\C=C\C=3C=NC(=CC3)N3CCN(CC3)C | 5 |
[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][C@H:8]([CH2:12][NH2:13])[CH2:7]1.[C:18]1([C:24]2[O:25][C:26]([CH3:33])=[C:27]([CH2:29][C:30](O)=[O:31])[N:28]=2)[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1>>[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... | 1 |
[C:1]([C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][C:6]=1[O:11][CH3:12])([CH3:4])([CH3:3])[CH3:2].[C:13](O)(=[O:17])[C:14]([CH3:16])=[CH2:15]>O>[C:1]([C:5]1[CH:10]=[C:9]2[C:8]([CH2:15][CH:14]([CH3:16])[C:13]2=[O:17])=[CH:7][C:6]=1[O:11][CH3:12])([CH3:4])([CH3:2])[CH3:3] | 1 |
FC=1C=C2C(CNC(C2=CC1O)=O)C>O.C1CCCO1.[OH-].[Na+].[H-].[Al+3].[Li+].[H-].[H-].[H-]>FC=1C=C2C(CNCC2=CC1O)C | 3 |
NC1=NNC(=C1)C1CC1.ClC1=NC2=CC=C(C=C2C(=N1)Cl)N1CCCCC1>>ClC1=NC2=CC=C(C=C2C(=N1)NC=1NN=C(C1)C1CC1)N1CCCCC1 | 5 |
[CH3:1][N:2]([CH3:32])[C:3]1[N:12]=[C:11]([NH:13][CH2:14][C:15]2[CH:20]=[CH:19][C:18]([NH:21][C:22](=[O:30])[C:23]3[CH:28]=[CH:27][C:26]([F:29])=[CH:25][CH:24]=3)=[CH:17][CH:16]=2)[C:10]2[C:5](=[CH:6][C:7](I)=[CH:8][CH:9]=2)[N:4]=1.[CH3:33][C:34]([CH3:41])([CH3:40])/[CH:35]=[CH:36]/B(O)O.Cl>>[CH3:1][N:2]([CH3:32])[C:3]... | 2 |
CN(CCOC1=CC=C(C=C1)[C@@H]1N(C[C@H](CC1)C)C(=O)OC(C)(C)C)C>CO[H].Cl>CN(CCOC1=CC=C(C=C1)[C@@H]1NC[C@H](CC1)C)C | 3 |
C(#C)C=1C=NC=C(C1)OC.FC1=C(C(=O)NC)C=C(C=C1)I>[Cu]I.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>FC1=C(C(=O)NC)C=C(C=C1)C#CC=1C=NC=C(C1)OC | 3 |
C(NC(C)C)(C)C.[Li]CCCC.[C:13]([O:18][CH2:19][CH3:20])(=[O:17])[CH:14]([CH3:16])[CH3:15].Br[CH2:22][C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][C:24]=1[C:29]([F:32])([F:31])[F:30]>C1COCC1>[CH3:15][C:14]([CH3:16])([CH2:22][C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][C:24]=1[C:29]([F:32])([F:31])[F:30])[C:13]([O:18][CH2:19][CH3:20])=[O... | 1 |
C(C)(=O)OC(C)=O.C(=O)C1=C(OCC(=O)O)C=C(C=C1)OC>>COC=1C=CC2=C(OC=C2)C1 | 5 |
CS(=O)(=O)OCCF.OC1=C(C=C(C=C1)CCC(=O)OCC)OC>CC#N.C([O-])([O-])=O.[K+].[K+]>FCCOC1=C(C=C(C=C1)CCC(=O)OCC)OC | 3 |
Cl.[Cl:2][C:3]1[CH:12]=[C:11]2[C:6]([C:7]([NH:13][C:14]3[CH:15]=[CH:16][C:17]([N:22]4[CH2:27][CH2:26][O:25][CH2:24][CH2:23]4)=[C:18](CO)[CH:19]=3)=[CH:8][CH:9]=[N:10]2)=[CH:5][CH:4]=1.S(Cl)(Cl)=O.[CH3:32][N:33]([CH3:38])[CH2:34][CH2:35]NC.CN1[C:44](=[O:45])CCC1>C(Cl)Cl>[Cl:2][C:3]1[CH:12]=[C:11]2[C:6]([C:7]([NH:13][C:1... | 1 |
[CH2:1]([N:8]1[C:16]2[C:11](=[CH:12][C:13]([C:17]3[CH:22]=[CH:21][C:20]([O:23][C:24]([F:27])([F:26])[F:25])=[CH:19][CH:18]=3)=[CH:14][CH:15]=2)[CH:10]=[CH:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[C:28](Cl)(=[O:32])[C:29](Cl)=[O:30].[CH2:34]([OH:36])[CH3:35]>>[CH2:1]([N:8]1[C:16]2[C:11](=[CH:12][C:13]([C:17]3[CH:22... | 1 |
FC(C=1C=C(C=CC1)N=C=O)(F)F>>C(CCC)NC(=O)NC1=CC(=CC=C1)C(F)(F)F | 5 |
C1C(OCC(O1)(CO)O)(CO)O.[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)Cl>N(C)(C)C=O.c1cnc[nH]1>[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OCC(CO)=O | 3 |
[CH3:1][C:2]1[CH:39]=[C:38]([CH3:40])[CH:37]=[CH:36][C:3]=1[O:4][CH2:5][C@H:6]([OH:35])[CH2:7][NH:8][C:9]1[CH:14]=[CH:13][NH:12][C:11](=[O:15])[C:10]=1[C:16]1[NH:27][C:26]2[C:18](=[CH:19][C:20]3[CH2:21][N:22]([CH:29]4[CH2:34][CH2:33][NH:32][CH2:31][CH2:30]4)[C:23](=[O:28])[C:24]=3[CH:25]=2)[N:17]=1.Br[CH:42]1[CH2:44][C... | 1 |
[C:1]([O:5][C:6]([N:8]1[CH2:12][CH2:11][CH2:10][C@H:9]1[C:13]([OH:15])=O)=[O:7])([CH3:4])([CH3:3])[CH3:2].CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CCN(C(C)C)C(C)C.[NH2:49][N:50]1[CH:54]=[CH:53][CH:52]=[C:51]1[C:55]([NH:57][C:58]1[CH:63]=[CH:62][CH:61]=[CH:60][CH:59]=1)=[O:56]>CN(C)C=O>[C:58]1([NH:57][C:55... | 1 |
C(C(C)C)NC(C(=C[C@H]1[C@@H](N(C(O1)(C)C)C(=O)OCC1=CC=CC=C1)CC(C)C)C(C)C)=O>CCO[H].[HH]>C(C(C)C)NC(C(C[C@@H]([C@H](CC(C)C)N)O)C(C)C)=O | 3 |
ICI.C(C)[Zn]CC.CC(CC(C)O)C=CC>ClCCl.CCCCCC>CC1(C(C1)CCC(C)O)C | 3 |
C(C1=CC=CC=C1)[C@@H]([C@H](C(OC(C)CC)NS(=O)(=O)C1=CC=C(C=C1)OC)O)NC(OC(C)(C)C)=O>>N[C@H]([C@@H](CN(S(=O)(=O)C1=CC=C(C=C1)OC)OC(C)CC)O)CC1=CC=CC=C1 | 5 |
C(C)N=C=O.CC1=NN(C=C1N)C=1C=NC=CC1>ClCCl>C(C)NC(=O)NC=1C(=NN(C1)C=1C=NC=CC1)C | 3 |
BrC=1N=C(C(=NC1)N(C(OC(C)(C)C)=O)C(=O)OC(C)(C)C)C#C[Si](C)(C)C.C1(CCCC1)N1C(C=CC(=C1)B1OC(C(O1)(C)C)(C)C)=O>CC#N.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].C([O-])([O-])=O.[Na+].[Na+]>C(C)(C)(C)OC(=O)N(C(OC(C)(C)C)=O)C1=NC=C(N=C1C#C[Si](C)(C)C)C1=CN(C(C=C1)=O)C1CCCC... | 3 |
[CH3:1][Si]([N-][Si](C)(C)C)(C)C.[Na+].[CH3:11][C:12]([C:14]1[CH:19]=[CH:18][C:17]([O:20][CH3:21])=[CH:16][C:15]=1[F:22])=O>O1CCCC1.[Br-].C[P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1>[F:22][C:15]1[CH:16]=[C:17]([O:20][CH3:21])[CH:18]=[CH:19][C:14]=1[C:12]([CH3:1])=[CH2:11] | 1 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH2:11][CH2:12][NH2:13])[CH:6]=[CH:7][C:8]=1[O:9][CH3:10].[C:14](#[N:18])/[CH:15]=[CH:16]/[CH3:17]>>[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH2:11][CH2:12][NH:13][CH:16]([CH3:17])[CH2:15][C:14]#[N:18])[CH:6]=[CH:7][C:8]=1[O:9][CH3:10] | 1 |
CC1=C(C(=NO1)C1=NC=CC=C1)C=O.Cl.C(C)OC(=O)C=1N(N=C(C1)N)C>CO[H].C(C)(=O)O.C(#N)[BH3-].[Na+]>CN1N=C(C=C1C(=O)OCC)NCC=1C(=NOC1C)C1=NC=CC=C1 | 3 |
[CH3:1][C:2]1[N:3]=[C:4]2[CH:9]=[CH:8][C:7]([C:10]3[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=3[C:16]([F:19])([F:18])[F:17])=[N:6][N:5]2[C:20]=1[C:21]([OH:23])=O.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[Cl:48][C:49]1[CH:50]=[CH:51][C:52]([NH2:55])=[N:53][CH:54]=1.N1C=CC=CC=1>C(#N)C.O>[Cl:48][C:49]1[CH:50]=[CH:... | 2 |
IC=1C=C(C=CC1)C=1N=CN(C1C1=CC2=C(N=CN=C2SC)S1)C>ClCCl.ClC=1C=C(C(=O)OO)C=CC1>IC=1C=C(C=CC1)C=1N=CN(C1C1=CC2=C(N=CN=C2S(=O)(=O)C)S1)C | 3 |
[OH:1][C@@:2]1(CC([O-])=O)[CH2:27][CH2:26][C@@:25]2([CH3:28])[C:4](=[CH:5][CH:6]=[C:7]3[C@@H:24]2[CH2:23][CH2:22][C@@:21]2([CH3:29])[C@H:8]3[CH2:9][CH2:10][C@@H:11]2[C@H:12]([CH3:20])[CH2:13][CH2:14][CH2:15][C:16]([OH:19])([CH3:18])[CH3:17])[CH2:3]1.[OH-].[Na+]>C(O)C>[OH:1][C@H:2]1[CH2:27][CH2:26][C@@:25]2([CH3:28])[C:... | 1 |
O1CC1(C)C.BrC1=CC=C(CC=2C=NC=3N(C2)N=CC3C(=O)NCCO)C=C1>CC(C)(C)[O-].[K+].CCO[H]>BrC1=CC=C(CC=2C=NC=3N(C2)N=CC3C(=O)NCCOCC(C)(C)O)C=C1 | 3 |
CI.C(C)(C)(C)C1=CC(=C(C(=O)O)C=C1)Br>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>BrC1=C(C(=O)OC)C=CC(=C1)C(C)(C)C | 3 |
[H-].[Na+].[Br:3][C:4]1[CH:11]=[CH:10][C:7]([CH2:8][OH:9])=[CH:6][CH:5]=1.[Br:12][C:13]1[CH:20]=[CH:19][C:16]([CH2:17]Br)=[CH:15][CH:14]=1>CN(C)C=O>[Br:3][C:4]1[CH:11]=[CH:10][C:7]([CH2:8][O:9][CH2:17][C:16]2[CH:19]=[CH:20][C:13]([Br:12])=[CH:14][CH:15]=2)=[CH:6][CH:5]=1 | 1 |
ClC1=C(C=C(C(=O)OC)C=C1[N+](=O)[O-])OC.NCC1CN(C1)C(=O)OCC1=CC=CC=C1>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>COC1=C(C(=CC(=C1)C(=O)OC)[N+](=O)[O-])NCC1CN(C1)C(=O)OCC1=CC=CC=C1 | 3 |
CS(=O)(=O)Cl.N1CC(C1)CS(=O)(=O)C1=CC2=C(N(C(=N2)CC(C)(C)C)CC2CC2)C=C1>>C1(CC1)CN1C(=NC2=C1C=CC(=C2)S(=O)(=O)CC2CN(C2)S(=O)(=O)C)CC(C)(C)C | 5 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([NH:8][C:9]([C:11]2[O:15][C:14]([CH3:16])=[N:13][C:12]=2[CH3:17])=[O:10])=[CH:4][C:3]=1[C:18]1[N:19]=[C:20]2[N:25]=[CH:24][C:23]([CH:26]3[CH2:31][CH2:30][NH:29][CH2:28][CH2:27]3)=[CH:22][N:21]2[CH:32]=1.[OH:33][CH2:34][C:35](O)=[O:36]>>[F:1][C:2]1[CH:7]=[CH:6][C:5]([NH:8][C:9]([C:11]2[O:15... | 2 |
ClC1=NC(=C(C=2N=C(NC(C21)=O)SC)F)Cl.NC1=NC=CC=C1[C@@H](C)NCCO>C1CCCO1.[H-].[Na+]>NC1=NC=CC=C1[C@@H](C)NCCOC1=NC(=C(C=2N=C(NC(C21)=O)SC)F)Cl | 3 |
ClCC=O.IC=1C=C2C=CC(=NC2=CC1)N>O1CCOCC1.C(O)([O-])=O.[Na+]>IC=1C=C2C=CC=3N(C2=CC1)C=CN3 | 3 |
ClCC(CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])=O>O.C(C)(=O)O.N(=O)[O-].[Na+]>ON=C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])C(=O)CCl | 3 |
[C:1]1([CH3:18])[CH:6]=[CH:5][C:4]([C:7]2O[C:9](=[O:17])[C:10]3[CH:16]=[CH:15][CH:14]=[CH:13][C:11]=3[N:12]=2)=[CH:3][CH:2]=1.[CH2:19]([NH2:27])[CH2:20][C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1>>[CH2:19]([N:27]1[C:9](=[O:17])[C:10]2[C:11](=[CH:13][CH:14]=[CH:15][CH:16]=2)[N:12]=[C:7]1[C:4]1[CH:3]=[CH:2][C:1]([CH3:... | 2 |
[Cl:1][C:2]1[CH:7]=[C:6]([C:8]([C:10](F)(F)F)=C)[CH:5]=[C:4]([C:14]([F:17])([F:16])[F:15])[CH:3]=1.[Br:18][C:19]1[CH:24]=[CH:23][C:22]([CH:25]=[N:26][OH:27])=[CH:21][C:20]=1[CH2:28][C:29]([F:32])([F:31])[F:30]>ClCCl.[O-]Cl.[Na+]>[Br:18][C:19]1[CH:24]=[CH:23][C:22]([C:25]2[CH2:10][CH:8]([C:6]3[CH:5]=[C:4]([C:14]([F:15])... | 1 |
OC1=C(C=C(C=C1)S(=O)(=O)Cl)[N+](=O)[O-]>>OC1=C(C=C(C=C1)S(=O)(=O)N(C)C)[N+](=O)[O-] | 5 |
CN1C=NC=C1C1=CC=CC=C1>C(=O)(C(F)(F)F)O.C(O)([O-])=O.[Na+].IN1C(CCC1=O)=O>IC=1N=CN(C1C1=CC=CC=C1)C | 3 |
ClC=1C2=C(N=CN1)OC=C2C2=CC=C(C=C2)Cl.N1(CCCC1)CCC1=NNC(O1)=S>O.ClCCl.C(C)(C)N(C(C)C)CC.COCCOC>ClC1=CC=C(C=C1)C1=COC=2N=CN=C(C21)SC2=NN=C(O2)CN2C(CCC2)=O | 3 |
FC(C1=C(CN)C=CC=C1)(F)F.C(=O)(OC(C)(C)C)N1C(CCCC1)=O>>FC(C1=C(C=CC=C1)CNC1CCN(CC1)C(=O)OC(C)(C)C)(F)F | 5 |
Cl.[CH3:2][C:3]([CH3:12])([CH3:11])[CH2:4][C@H:5]([NH2:10])[CH2:6][N:7]([CH3:9])[CH3:8].C(N(CC)CC)C.[CH3:20][C@@H:21]1[C@@H:26]([NH:27][C:28]([CH:30]2[CH2:34][CH2:33][S:32](=[O:36])(=[O:35])[N:31]2[CH2:37][C:38]2[CH:43]=[CH:42][CH:41]=[C:40]([CH:44]=O)[CH:39]=2)=[O:29])[CH2:25][C@H:24]2[CH2:46][C@@H:22]1[C:23]2([CH3:48... | 1 |
C(Cl)[Cl:2].[O:4]1[CH2:8][CH2:7][CH2:6][CH2:5]1.[CH2:9]([N:11]([CH2:14]C)CC)C>>[C:8]([Cl:2])(=[O:4])[C:7]1[CH:6]=[CH:5][CH:14]=[N:11][CH:9]=1 | 2 |
NC1CCN(CC1)C(=O)OC(C)(C)C.CC#N.CS(=O)C.C(C)(C)(C)OC(=O)NC[C@@H]1CC[C@H](CC1)C(=O)N[C@@H](CC1=CC=C(C=C1)C1=C(C(=C(C=C1)C(=O)O)F)OC)C(NC1=CC=C(C=C1)C=1N=NNN1)=O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.CN(C)C(=[N+]1N=[N+](C2=NC=CC=C21)[O-])N(C)C>C(C)(C)(C)OC(=O)NC[C@@H]1CC[C@H](CC1)C(=O)N[C@@H](CC1=CC=C(C=C1)C1=C(... | 3 |
C(C)C1=C(C(=CC=C1)CC)Br>C1CCCO1.C(CCC)[Li].COB(OC)OC>C(C)C1=C(C(=CC=C1)CC)B(O)O | 3 |
[F:1][C:2]([F:12])([F:11])[S:3][C:4]1[CH:10]=[CH:9][C:7]([NH2:8])=[CH:6][CH:5]=1.[NH:13]1[C:21]2[C:16](=[CH:17][C:18]([CH2:22][C:23](O)=[O:24])=[CH:19][CH:20]=2)[CH:15]=[CH:14]1.N>>[NH:13]1[C:21]2[C:16](=[CH:17][C:18]([CH2:22][C:23]([NH:8][C:7]3[CH:9]=[CH:10][C:4]([S:3][C:2]([F:11])([F:1])[F:12])=[CH:5][CH:6]=3)=[O:24]... | 2 |
C1COCCN1.ClC=1N=CC(=NC1)C(=O)OC>CCN(CC)CC.O1CCOCC1>COC(=O)C1=NC=C(N=C1)N1CCOCC1 | 3 |
N#CBr.CC1(OB(OC1(C)C)C=1C=C(C(=CC1)N)N)C>CO[H].C(O)([O-])=O.[Na+]>CC1(OB(OC1(C)C)C1=CC2=C(NC(=N2)N)C=C1)C | 3 |
NC1=NN2C(CCCC2)=C1>ClCCl.C(O)([O-])=O.[Na+].S(=O)(=O)(Cl)Cl>NC1=NN2C(CCCC2)=C1Cl | 3 |
ClC1=CC=C(C=C1)C(C(=O)N1CC(C(C1)CO)C1=C(C=CC=C1)O)(C)C>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OC(C)C)C(=O)OC(C)C>ClC1=CC=C(C=C1)C(C(=O)N1CC2C(C1)C=1C=CC=CC1OC2)(C)C | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][C:12]=1[O:13][CH2:14][CH:15]1[CH2:20][CH2:19][NH:18][CH2:17][CH2:16]1)[N:9]=[CH:8][N:7]=[C:6]2[O:21][C:22]1[CH:23]=[C:24]2[C:28](=[CH:29][CH:30]=1)[NH:27][C:26]([CH3:31])=[CH:25]2.Cl[CH2:33][CH2:34][N:35]1[CH2:39][CH2:38][CH2:37][CH2:36]1.C(=O)([O-])[O-].[Na+].[Na+].[I-].[... | 1 |
C(CCCCC)=O.C(CCC)C1=CC=C(C=C1)C#CC1=CC=C(CNC=2C=CC(=C(C(=O)OC)C2)F)C=C1>>C(CCC)C1=CC=C(C=C1)C#CC1=CC=C(CN(C=2C=CC(=C(C(=O)OC)C2)F)CCCCCC)C=C1 | 5 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:6]=[C:7]([Cl:24])[C:8]=1[O:9][C:10]1[C:19]2[C:14](=[CH:15][C:16]([O:22][CH3:23])=[C:17]([O:20][CH3:21])[CH:18]=2)[N:13]=[CH:12][CH:11]=1)[NH2:5].[F:25][C:26]1[CH:31]=[C:30]([F:32])[CH:29]=[CH:28][C:27]=1[N:33]=[C:34]=[O:35]>C(Cl)(Cl)Cl>[Cl:1][C:2]1[CH:3]=[C:4]([NH:5][C:34]([NH:33][C:27]2[CH... | 1 |
[NH2:1][C:2]1[NH:6][N:5]=[C:4]([OH:7])[C:3]=1[C:8]1[CH:9]=[N:10][CH:11]=[CH:12][CH:13]=1.[O:14]1[C:18]2[CH:19]=[CH:20][C:21]([C:23](=O)[CH2:24][C:25](OC)=[O:26])=[CH:22][C:17]=2[CH:16]=[CH:15]1>C(O)(=O)C>[O:14]1[C:18]2[CH:19]=[CH:20][C:21]([C:23]3[NH:1][C:2]4[N:6]([N:5]=[C:4]([OH:7])[C:3]=4[C:8]4[CH:9]=[N:10][CH:11]=[C... | 2 |
[N+:1]([C:4]1[CH:5]=[C:6]([NH:10][C:11]2[N:18]=[CH:17][CH:16]=[CH:15][C:12]=2[CH:13]=O)[CH:7]=[CH:8][CH:9]=1)([O-:3])=[O:2].[S:19]1[CH:23]=[CH:22][CH:21]=[C:20]1[CH2:24][CH2:25][CH2:26][C:27](OCC)=[O:28].[Li+].CC([N-]C(C)C)C>CN(C=O)C>[N+:1]([C:4]1[CH:5]=[C:6]([N:10]2[C:11]3[C:12](=[CH:15][CH:16]=[CH:17][N:18]=3)[CH:13]... | 1 |
O1C2=C(OCC1)C=C(C=C2)[C@@H]2NC(C[C@H]2C(=O)O)=O>CCN(CC)CC.CC(C)(C)O.C1=CC=C(C=C1)OP(=O)(N=[N+]=[N-])OC2=CC=CC=C2>C(C1=CC=CC=C1)N1[C@H]([C@@H](CC1=O)NC(OC(C)(C)C)=O)C1=CC2=C(OCCO2)C=C1 | 3 |
[CH2:1]([N:4]1[C:12](=[O:13])[C:11]2[NH:10][C:9]([C:14]3[CH:15]=[N:16][N:17]([CH2:19][C:20]#[CH:21])[CH:18]=3)=[N:8][C:7]=2[N:6]([CH2:22][CH2:23][CH3:24])[C:5]1=[O:25])[CH2:2][CH3:3].I[C:27]1[CH:32]=[CH:31][C:30]([S:33]([NH2:36])(=[O:35])=[O:34])=[CH:29][CH:28]=1.C(N(CC)CC)C>[Cu](I)I.Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=... | 1 |
[CH3:1][O:2][CH2:3][C@H:4]([CH3:52])[CH2:5][O:6][CH2:7][C:8]1[CH:13]=[CH:12][C:11]([C@@H:14]2[C@@H:19]([O:20][CH2:21][C:22]3[CH:23]=[CH:24][C:25]4[O:30][CH2:29][CH2:28][N:27]([CH2:31][CH2:32][CH2:33][O:34][CH3:35])[C:26]=4[CH:36]=3)[CH2:18][N:17]([S:37]([C:40]3[CH:45]=[CH:44][C:43]([CH3:46])=[CH:42][CH:41]=3)(=[O:39])=... | 1 |
[NH:1](C(OCC1C2C(=CC=CC=2)C2C1=CC=CC=2)=O)[C@@H:2]([C:9]([NH:11][C@H:12]([C:28]([NH:30][CH2:31][CH2:32][C:33]1[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=1)=[O:29])[CH2:13][C:14]1[CH:19]=[CH:18][C:17]([O:20][CH2:21][C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)=[CH:16][CH:15]=1)=[O:10])[CH2:3][C:4]1[N:8]=[CH:7][NH:6][CH:5]=... | 1 |
COC(CCO)(C)C.BrCC(=O)[O-].[Na+]>>COC(CCOCC(=O)O)(C)C | 5 |
BrC1=C(C(C(=O)O)=CC=C1)C(=O)O>C(C)(=O)OC(C)=O>BrC1=C2C(C(=O)OC2=O)=CC=C1 | 3 |
CS[C:3]1[N:8]2[N:9]=[C:10]([NH2:12])[N:11]=[C:7]2[CH:6]=[CH:5][N:4]=1.[CH2:13]([N:20]1[CH:24]=[C:23](B(O)O)[CH:22]=[N:21]1)[C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1>C1COCC1.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)(C... | 1 |
C(CCC)C1=C(C(N(C(=N1)CC)CC(C(C)(C)C)O)=O)CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NOC(N1)=O>ClCCl.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O>C(CCC)C1=C(C(N(C(=N1)CC)CC(C(C)(C)C)=O)=O)CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NOC(N1)=O | 3 |
Br[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[CH2:8][C:9]([OH:11])=[O:10].[Br:12][C:13]1[CH:14]=[C:15]([CH:17]=[CH:18][C:19]=1[CH3:20])[NH2:16]>>[Br:12][C:13]1[CH:14]=[C:15]([NH:16][C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=2[CH2:8][C:9]([OH:11])=[O:10])[CH:17]=[CH:18][C:19]=1[CH3:20] | 1 |
C(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)Cl.ClC=1C=C2C(=NC1)NN=C2I>N(C)(C)C=O.C([O-])([O-])=O.[Na+].[Na+]>ClC=1C=C2C(=NC1)N(N=C2I)C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2 | 3 |
ClC(C(Cl)(Cl)Cl)(Cl)Cl.FC(C1=NN(C=C1SCC1CCN(CC1)C(=O)OC(C)(C)C)C)F>C(CCC)[Li]>ClC1=C(C(=NN1C)C(F)F)SCC1CCN(CC1)C(=O)OC(C)(C)C | 3 |
ClC1=CN=C(C2=CC(=CC=C12)S(=O)(=O)NC=1C=C(C(=O)OC(C)(C)C)C=CC1)NC(=N)N>C1(=CC=CC=C1)C.C(=O)(C(F)(F)F)O>FC(C(=O)O)(F)F.ClC1=CN=C(C2=CC(=CC=C12)S(=O)(=O)NC=1C=C(C(=O)O)C=CC1)NC(=N)N | 3 |
NC1=C(C=CC=C1)O.C1COC2(CCC(CC2)=O)O1>>O1CCOC12CCC(CC2)NC2=C(C=CC=C2)O | 5 |
[C:1](Cl)(=[O:9])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8].[F:11][C:12]1[C:13]([C:19]2[CH:24]=[CH:23][C:22]([O:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH3:33])=[CH:21][CH:20]=2)=[N:14][CH:15]=[C:16]([OH:18])[CH:17]=1>N1C=CC=CC=1>[C:1]([O:18][C:16]1[CH:17]=[C:12]([F:11])[C:13]([C:19]2[CH:20]=... | 1 |
[C:1]([NH:4][C@H:5]1[CH2:10][CH2:9][CH2:8][C@H:7]([C:11]([O:13]C)=O)[CH2:6]1)(=[O:3])[CH3:2].[NH3:15]>>[C:1]([NH:4][C@H:5]1[CH2:10][CH2:9][CH2:8][C@H:7]([C:11]([NH2:15])=[O:13])[CH2:6]1)(=[O:3])[CH3:2] | 1 |
COC=1C=C2CNC(C2=CC1)=O>ClCCl.B(Br)(Br)Br>OC=1C=C2CNC(C2=CC1)=O | 3 |
CC=1N(C=C(N1)C(F)(F)F)[C@H](C(=O)O)C.ClC1=CC=C(C=C1)N1N=CC=2NCCCC21>N(C)(C)C=O.ClCCl.CCN(CC)CC.C(C(=O)Cl)(=O)Cl>ClC1=CC=C(C=C1)N1N=CC=2N(CCCC21)C([C@H](C)N2C(=NC(=C2)C(F)(F)F)C)=O | 3 |
C(O[C:4](=[O:19])[CH2:5][O:6][C:7]1[CH:12]=[CH:11][C:10]([CH2:13][C:14]2[NH:15][CH:16]=[CH:17][N:18]=2)=[CH:9][CH:8]=1)C.[CH3:20][NH2:21]>>[CH3:20][NH:21][C:4](=[O:19])[CH2:5][O:6][C:7]1[CH:8]=[CH:9][C:10]([CH2:13][C:14]2[NH:18][CH:17]=[CH:16][N:15]=2)=[CH:11][CH:12]=1 | 1 |
C(C)(C)(C)OC(NC=1N=C(N(C1)C)C(NC=1C(=NNC1)C(NC1=CC=C(C=C1)F)=O)=O)=O>ClCCl.C(=O)(C(F)(F)F)O>FC1=CC=C(C=C1)NC(=O)C1=NNC=C1NC(=O)C=1N(C=C(N1)N)C | 3 |
C(C)N.C(=O)(OC)C1=CC=NC=C1>O.CCO[H]>C(C)NC(C1=CC=NC=C1)=O | 3 |
[CH2:1]([N:8]1[CH2:12][CH:11]([CH2:13][C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)C(C#N)[CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[C:22]([OH:25])(=[O:24])[CH3:23].Cl.C>O>[CH2:1]([N:8]1[CH2:12][C@H:11]([CH2:13][C:14]2[CH:15]=[CH:16][CH:17]=[CH:18][CH:19]=2)[C@@H:23]([C:22]([OH:25])=[O:24])[CH2:9]1)[C:2]1[CH:7... | 2 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([CH2:11][CH2:12][CH:13]2[CH2:17][CH2:16][CH2:15][N:14]2[CH3:18])C#N)=[CH:4][CH:3]=1.OS(O)(=O)=O.O.[C:25]([O-:28])([O-])=[O:26].[Na+].[Na+]>CO>[Br:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([CH2:11][CH2:12][CH:13]2[CH2:17][CH2:16][CH2:15][N:14]2[CH3:18])[C:25]([OH:28])=[O:26])=[CH:4][CH:3]=1 | 1 |
[H-].[Na+].[CH2:3]([N:10]1[CH2:23][CH2:22][C:13]2([C:21]3[C:16](=[N:17][CH:18]=[CH:19][CH:20]=3)[NH:15][CH2:14]2)[CH2:12][CH2:11]1)[C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1.I[CH3:25]>CN(C=O)C>[CH2:3]([N:10]1[CH2:23][CH2:22][C:13]2([C:21]3[C:16](=[N:17][CH:18]=[CH:19][CH:20]=3)[N:15]([CH3:25])[CH2:14]2)[CH2:12][CH2:11]1)... | 2 |
C(C)(C)(C)OC(=O)N1C[C@H](CCC1)O.C(C)(C)(C)OC(N(C1=CC(=CC=C1)F)C=1C=2N(N=C(C1)Cl)C(=CN2)C(F)(F)F)=O>N(C)(C)C=O.O.[H-].[Na+]>C(C)(C)(C)OC(=O)N1C[C@H](CCC1)OC=1C=C(C=2N(N1)C(=CN2)C(F)(F)F)N(C2=CC(=CC=C2)F)C(=O)OC(C)(C)C | 3 |
[N:1]1[C:2]([C:10]([OH:12])=O)=[CH:3][N:4]2[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=12.[C:13]([C:17]1[N:22]=[C:21]([N:23]2[CH2:28][CH2:27][N:26]([CH2:29][CH2:30][CH2:31][CH2:32][NH2:33])[CH2:25][CH2:24]2)[CH:20]=[C:19]([CH:34]2[CH2:36][CH2:35]2)[N:18]=1)([CH3:16])([CH3:15])[CH3:14]>C(Cl)(Cl)Cl.CO>[C:13]([C:17]1[N:22]=[C:21]([N:... | 2 |
[CH2:1]([O:3][CH:4]([C:6]1[CH:14]=[CH:13][C:9]([C:10]([OH:12])=O)=[CH:8][CH:7]=1)[CH3:5])[CH3:2].CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.C(N(CC)CC)C.[NH2:46][CH2:47][C:48]1[C:49]([OH:56])=[N:50][C:51]([CH3:55])=[CH:52][C:53]=1[CH3:54]>ClCCl.O>[CH2:1]([O:3][CH:4]([C:6]1[CH:7]=[CH:8][C:9]([C:10]([NH:46][CH... | 1 |
Cl[Si](C(C)C)(C(C)C)C(C)C.OC1=CC=C(C=C1)C(CC1=CC=CC=C1)=O>>C1(=CC=CC=C1)CC(=O)C1=CC=C(C=C1)O[Si](C(C)C)(C(C)C)C(C)C | 5 |
C(C)(C)(C)OC(=O)N1[C@@H](CC(C1)=O)C(=O)O.BrC=1C=C(C=C(C1)F)CN>>BrC=1C=C(CNC(=O)[C@H]2N(CC(C2)=O)C(=O)OC(C)(C)C)C=C(C1)F | 5 |
[C:1]([O:5][C:6](=[O:18])[NH:7][C:8]1[CH:13]=[C:12]([N+:14]([O-])=O)[CH:11]=[CH:10][C:9]=1[F:17])([CH3:4])([CH3:3])[CH3:2].C(OC(N(C1C=C([N+]([O-])=O)C=CC=1F)C(OC(C)(C)C)=O)=O)(C)(C)C.O1CCCC1.C(=O)([O-])[O-].[K+].[K+]>C(O)C.CO.[C].[Pd]>[C:1]([O:5][C:6](=[O:18])[NH:7][C:8]1[CH:13]=[C:12]([NH2:14])[CH:11]=[CH:10][C:9]=1[F... | 1 |
C1(=CC=CC=C1)C=O.[Si](C)(C)(C(C)(C)C)OCC1=C(C=C(C=C1)Br)OC>O.C1CCCO1.C(CCC)[Li]>[Si](C)(C)(C(C)(C)C)OCC1=C(C=C(C=C1)C(O)C1=CC=CC=C1)OC | 3 |
C=C[Mg]Br.CON(C(=O)C1OCCC1)C>C1CCCO1>O1C(CCC1)C(C=C)=O | 3 |
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