smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[NH2:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[CH:8]([C:16]([O:18][C:19]([CH3:22])([CH3:21])[CH3:20])=[O:17])[C:9]([O:11][C:12]([CH3:15])([CH3:14])[CH3:13])=[O:10].[CH3:23][C:24]1([N:36]2[CH2:41][CH2:40][C:39](=O)[CH2:38][CH2:37]2)[CH2:28][CH2:27][N:26]([C:29]([O:31][C:32]([CH3:35])([CH3:34])[CH3:33])=[O:30])[CH2:25]1>... | 2 |
COCCN1CCNCC1.NC1=C2C(=NC=N1)N(N=C2C2=CC(=C(C=C2)NC(C2=C(C=C(C=C2)C(F)(F)F)F)=O)OC)C2=CC=C(C=C2)C=O>C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl>NC1=C2C(=NC=N1)N(N=C2C2=CC(=C(C=C2)NC(C2=C(C=C(C=C2)C(F)(F)F)F)=O)OC)C2=CC=C(C=C2)CN2CCN(CC2)CCOC | 3 |
C(C)(=O)OC(C)=O.BrC1=CC=C(C(=N1)OC)N>>BrC1=CC=C(C(=N1)OC)NC=O | 5 |
[OH:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]2[CH2:13][CH2:12][CH:11]([CH2:14][C:15]([O:17][CH2:18][CH3:19])=[O:16])[CH2:10][CH2:9]2)=[CH:4][CH:3]=1.[C:20]([O-])([O-])=O.[Cs+].[Cs+].IC>CN(C=O)C>[CH3:20][O:1][C:2]1[CH:3]=[CH:4][C:5]([CH:8]2[CH2:9][CH2:10][CH:11]([CH2:14][C:15]([O:17][CH2:18][CH3:19])=[O:16])[CH2:12][CH2:13]2)=[... | 2 |
F[C:2]1[CH:9]=[C:8]([N+:10]([O-:12])=[O:11])[CH:7]=[CH:6][C:3]=1[C:4]#[N:5].[CH3:13][O:14][C:15](=[O:18])[CH2:16][NH2:17].C(N(CC)CC)C.O>CS(C)=O>[CH3:13][O:14][C:15](=[O:18])[CH2:16][NH:17][C:2]1[CH:9]=[C:8]([N+:10]([O-:12])=[O:11])[CH:7]=[CH:6][C:3]=1[C:4]#[N:5] | 1 |
[CH3:1][O:2][C:3]([C:5]1[CH:10]([C:11]2[CH:16]=[CH:15][C:14]([C:17]#[N:18])=[CH:13][C:12]=2[CH:19]=C)[N:9]2[C:21](=[O:24])[NH:22][N:23]=[C:8]2[N:7]([C:25]2[CH:30]=[CH:29][CH:28]=[C:27]([C:31]([F:34])([F:33])[F:32])[CH:26]=2)[C:6]=1[CH3:35])=[O:4].C[N+]1([O-])CC[O:40]CC1.I([O-])(=O)(=O)=O.[Na+]>CC(C)=O.O.C(Cl)Cl.C([O-])... | 2 |
[H-].[Na+].[Br:3][C:4]1[CH:5]=[C:6]([CH2:10][OH:11])[CH:7]=[N:8][CH:9]=1.Cl[CH2:13][C:14]1[CH:19]=[CH:18][C:17]([O:20][CH3:21])=[CH:16][CH:15]=1>CN(C=O)C>[Br:3][C:4]1[CH:9]=[N:8][CH:7]=[C:6]([CH2:10][O:11][CH2:13][C:14]2[CH:19]=[CH:18][C:17]([O:20][CH3:21])=[CH:16][CH:15]=2)[CH:5]=1 | 1 |
COC1=CC=C(C=C1)B(O)O.BrC1=C(N=C(N(C1=O)CC1=CC=C(C=C1)C=1C(=CC=CC1)C#N)CCC)CC>O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].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]>C(C)C=1N=C(N(C(C1C1=CC=C(C=C1)OC)=O)CC1=CC=C(C=C1)C=1C(=CC=CC1)C#N)CCC | 3 |
[NH2:1][CH:2]1[C:23](=[O:24])[N:4]2[C:5]([C:10]([O:12][CH2:13][C:14]3[CH:19]=[CH:18][C:17]([N+:20]([O-:22])=[O:21])=[CH:16][CH:15]=3)=[O:11])=[C:6]([Cl:9])[CH2:7][S:8][C@H:3]12.[C:25]1([CH2:31][C:32](Cl)=[O:33])[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1.C(=O)(O)[O-].[Na+]>CC(C)=O>[C:25]1([CH2:31][C:32]([NH:1][CH:2]2[C:23]... | 1 |
OCCN1CCOCC1.FC1=CC(=CC(=C1)[N+](=O)[O-])C(F)(F)F>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>[N+](=O)([O-])C=1C=C(OCCN2CCOCC2)C=C(C1)C(F)(F)F | 3 |
OCC1=CC=C(C(=O)OC)C=C1>>C[Si](OCC1=CC=C(C(=O)OC)C=C1)(C)C | 5 |
C[Si](Cl)(Cl)C.C(#CC)[Li]>C1CCCO1.[Cl-].[NH4+]>C[Si](C#CC)(C#CC)C | 3 |
ClC1=CC(=C(S1)[C@@H]1[C@H](C1)C(=O)O)C#N>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.n1nn(O)c2ccccc12.[Cl-].[NH4+].CCN=C=NCCCN(C)C>ClC1=CC(=C(S1)[C@@H]1[C@H](C1)C(=O)N)C#N | 3 |
C(CC)(=O)Cl.NC1=NC(=NC(=N1)N(OC)C)NCCC>>CON(C1=NC(=NC(=N1)NCCC)NC(CC)=O)C | 5 |
FC1=C(C=C(C=C1)\C=C\OC)OC1=CC=CC=C1>>FC1=C(C=C(C=C1)CC=O)OC1=CC=CC=C1 | 5 |
NCCNC(C1=CN=CC=C1)=O.C(=O)(O)CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1>CC#N.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>C(C1=CN=CC=C1)(=O)NCCNC(CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)=O | 4 |
[CH3:1][C:2]1[C:11]([N+:12]([O-:14])=[O:13])=[CH:10][CH:9]=[CH:8][C:3]=1[C:4]([O:6][CH3:7])=[O:5].[Br:15]N1C(=O)CCC1=O>C(Cl)(Cl)(Cl)Cl.ClCCl>[Br:15][CH2:1][C:2]1[C:11]([N+:12]([O-:14])=[O:13])=[CH:10][CH:9]=[CH:8][C:3]=1[C:4]([O:6][CH3:7])=[O:5] | 2 |
C(C)OC(COC1=CC(=CC=C1)NC(C(C1=C(C=C2C=CC=CN12)C1=CC=CC=C1)=O)=O)=O>>O=C(C(=O)NC=1C=C(OCC(=O)O)C=CC1)C1=C(C=C2C=CC=CN12)C1=CC=CC=C1 | 5 |
[CH3:1][O:2][C:3](=[O:14])[C:4]1[CH:9]=[CH:8][C:7](Br)=[CH:6][C:5]=1[N+:11]([O-:13])=[O:12].[CH2:15](C([Sn])=C(CCCC)CCCC)[CH2:16]CC>O1CCOCC1.CCOC(C)=O.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)C1C=CC=CC=1>[CH3:1][O:2][C:3](=[O:14])[C:4]1[CH:9]=[CH:8][C:7]([CH:15]=[CH2:16])=[CH:6][... | 1 |
ClC1=C(C=NC2=CC(=C(C=C12)OC)OC)C#N>CCO[H].NC(=S)N>SC1=C(C=NC2=CC(=C(C=C12)OC)OC)C#N | 4 |
NC1=C(C(=O)O)C(=CC=C1)C>>CC1=CC=CC=2OC3=C(OC(C21)=O)C=CC=C3 | 5 |
C1(CCC1)N.OC1=CC=C2C=CN(C(C2=C1)=O)C=1C=C(C(=O)O)C=CC1C>>C1(CCC1)NC(C1=CC(=C(C=C1)C)N1C(C2=CC(=CC=C2C=C1)O)=O)=O | 5 |
C(C)(C)(C)OC([C@@H](C)N1C(C2=C(C(=CC=C2C1)C1=NC(=NC=C1)NC1=CC=NN1C)F)=O)=O>ClCCl.C(=O)(C(F)(F)F)O>FC=1C(=CC=C2CN(C(C12)=O)[C@@H](C(=O)O)C)C1=NC(=NC=C1)NC1=CC=NN1C | 3 |
Cl[C:2]1[C:3]2[N:11]([CH3:12])[CH:10]=[C:9]([C:13]3[C:18]([CH3:19])=[CH:17][C:16]([O:20][CH3:21])=[CH:15][C:14]=3[CH3:22])[C:4]=2[N:5]=[C:6]([CH3:8])[N:7]=1.[NH2:23][CH2:24][CH2:25][NH:26][C:27](=[O:37])[CH2:28][C:29]1[CH:34]=[CH:33][C:32]([O:35][CH3:36])=[CH:31][CH:30]=1.O>CN1C(=O)CCC1>[CH3:36][O:35][C:32]1[CH:31]=[CH... | 1 |
[O:1]=[C:2]1[CH2:11][CH2:10][C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[N:3]1[CH2:12][C:13]([OH:15])=O.[NH2:16][C:17]1[S:18][CH:19]=[C:20]([CH3:25])[C:21]=1[C:22]([NH2:24])=[O:23]>>[CH3:25][C:20]1[C:21]([C:22]([NH2:24])=[O:23])=[C:17]([NH:16][C:13](=[O:15])[CH2:12][N:3]2[C:4]3[C:9](=[CH:8][CH:7]=[CH:6][CH:5]=3)[CH2:10][C... | 1 |
[C:1]1([NH:7][NH2:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[CH:9]12[CH2:14][CH:13]1[C:12](=[O:15])[O:11][C:10]2=[O:16]>ClCCl>[C:1]1([NH:7][NH:8][C:12]([C@H:13]2[CH2:14][C@H:9]2[C:10]([OH:16])=[O:11])=[O:15])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1 | 1 |
COC1=CC=C(C=C1)C1CNCCO1.BrC1=CN=NC2=CC(=C(C=C12)OC)F>>FC1=C(C=C2C(=CN=NC2=C1)N1CC(OCC1)C1=CC=C(C=C1)OC)OC | 5 |
COC(C1=NC=2NCCCC2C=C1CO)OC>>COC(C1=C(C=C2CCCNC2=N1)COC)OC | 5 |
[C:1]1([C@@H:7]2[CH2:9][C@H:8]2[NH2:10])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.O=[CH:12][CH2:13][CH:14]1[CH2:19][CH2:18][N:17]([C:20]([O:22][C:23]([CH3:26])([CH3:25])[CH3:24])=[O:21])[CH2:16][CH2:15]1.CC(O)=O.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].C([O-])(O)=O.[Na+]>C(Cl)(Cl)Cl>[C:1]1([C@@H:7]2[CH2:9][C@H:8]2[NH:10][CH2:12][... | 1 |
ClC=1C=CC(=C2C=C(C(NC12)=O)C)OCCN1CCCCC1>CC#N.P(=O)(Cl)(Cl)Cl.Cl.C(C)N(CC)CC>ClC1=NC2=C(C=CC(=C2C=C1C)OCCN1CCCCC1)Cl | 3 |
[Si:1]([O:8][C@@H:9]1[C@@H:13]([CH2:14][O:15][Si](C(C)(C)C)(C)C)[O:12][C@@H:11]([N:23]2[C:27]3[N:28]=[CH:29][N:30]=[C:31]([NH2:32])[C:26]=3[CH:25]=[CH:24]2)[CH2:10]1)([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2].FC(F)(F)C(O)=O.O.C1(C)C=CC=CC=1>C1COCC1>[NH2:32][C:31]1[C:26]2[CH:25]=[CH:24][N:23]([C@@H:11]3[O:12][C@H:... | 2 |
[CH3:1][N:2]([CH:10]1[CH2:13][N:12]([C:14]2[C:15]3[N:16]([N:25]=[N:26][N:27]=3)[C:17]([C:20]3[S:21][CH:22]=[CH:23][CH:24]=3)=[CH:18][N:19]=2)[CH2:11]1)C(=O)OC(C)(C)C.FC(F)(F)C(O)=O>ClCCl>[CH3:1][NH:2][CH:10]1[CH2:11][N:12]([C:14]2[C:15]3[N:16]([N:25]=[N:26][N:27]=3)[C:17]([C:20]3[S:21][CH:22]=[CH:23][CH:24]=3)=[CH:18][... | 1 |
FC(F)(F)C(O)=O.[Cl:8][C:9]1[CH:18]=[C:17]2[C:12]([CH:13]=[C:14]([NH:19]C(=O)OC(C)(C)C)[N:15]=[CH:16]2)=[CH:11][N:10]=1>ClC(Cl)C>[Cl:8][C:9]1[CH:18]=[C:17]2[C:12]([CH:13]=[C:14]([NH2:19])[N:15]=[CH:16]2)=[CH:11][N:10]=1 | 1 |
C[O:2][C:3]1[C:8]([C:9]2[N:13]3[N:14]=[C:15]([NH:18][C@@H:19]4[CH2:24][CH2:23][CH2:22][N:21]([C:25](=[O:29])[CH2:26][C:27]#[N:28])[CH2:20]4)[CH:16]=[CH:17][C:12]3=[N:11][CH:10]=2)=[CH:7][CH:6]=[CH:5][N:4]=1.Cl[Si](C)(C)C.[I-].[Na+]>C(#N)C>[O:29]=[C:25]([N:21]1[CH2:22][CH2:23][CH2:24][C@@H:19]([NH:18][C:15]2[CH:16]=[CH:... | 1 |
C(C)(C)(C)OC(=O)NC[C@@H]1CC[C@H](CC1)C(=O)N[C@H](C(=O)O)CC1=CC=C(C=C1)C1=C(C=C(C=C1)C(NC(C)C)=O)C.NC=1C=C(C2=C(NC(N2)=O)C1)Cl>>ClC1=CC(=CC2=C1NC(N2)=O)NC([C@H](CC2=CC=C(C=C2)C2=C(C=C(C=C2)C(NC(C)C)=O)C)NC(=O)[C@@H]2CC[C@H](CC2)CNC(OC(C)(C)C)=O)=O | 5 |
IC1=CC2=C(C(CCC(N2)=O)=O)C=C1>[Cu]I.N(C)(C)C=O.[F-].[K+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(=C)[Sn](CCCC)(CCCC)CCCC>C(=C)C1=CC2=C(C(CCC(N2)=O)=O)C=C1 | 3 |
ClC1=C(C=C2CCN(CC2=C1)C(C(F)(F)F)=O)NC1=NC=C(C(=N1)NCCC(=O)N[C@H](C(F)(F)F)C1CC1)C(F)(F)F>O.CCO[H].C([O-])([O-])=O.[K+].[K+]>ClC1=C(C=C2CCNCC2=C1)NC1=NC=C(C(=N1)NCCC(=O)N[C@H](C(F)(F)F)C1CC1)C(F)(F)F | 3 |
ClC=1C=C(C=CC1F)NC(=O)C1N(S(NC(C1)C=1SC=C(C1)C1=NNC(N1C)=S)(=O)=O)C>O(O[H])[H].CO[H].[OH-].[Na+].C(C)(=O)O>ClC=1C=C(C=CC1F)NC(=O)C1N(S(NC(C1)C=1SC=C(C1)C1=NN=CN1C)(=O)=O)C | 3 |
CC1OC(CC2CCC(C3SC(C4C=CC(N)=CC=4)=CN=3)CC2)=NN=1.[N+:26]([C:29]1[CH:34]=[CH:33][C:32]([C:35]2[S:39][C:38]([CH:40]3[CH2:45][CH2:44][N:43]([C:46]([O:48][C:49]([CH3:52])([CH3:51])[CH3:50])=[O:47])[CH2:42][CH2:41]3)=[N:37][CH:36]=2)=[CH:31][CH:30]=1)([O-])=O>>[NH2:26][C:29]1[CH:30]=[CH:31][C:32]([C:35]2[S:39][C:38]([CH:40]... | 2 |
[CH:1]1[C:6]([C:7]2[CH:12]=[CH:11][C:10]([NH2:13])=[CH:9][CH:8]=2)=[CH:5][CH:4]=[C:3]([NH2:14])[CH:2]=1.Cl.Cl.N([O-])=O.[Na+]>Cl>[C:6]1([C:7]2[CH:12]=[CH:11][C:10]([NH2:13])=[CH:9][CH:8]=2)[CH:5]=[CH:4][C:3]([NH2:14])=[CH:2][CH:1]=1 | 1 |
C(C)(C)(C)OC(NCC#C)=O.ClC=1C=C(C=CC1OC1=CC(=CC=C1)OC(F)(F)F)NC1=NC=NC(=C1NC)I>>ClC=1C=C(C=CC1OC1=CC(=CC=C1)OC(F)(F)F)NC=1C2=C(N=CN1)C=C(N2C)CNC(OC(C)(C)C)=O | 5 |
[F:1][CH:2]([CH2:20][N:21]1[CH:25]=[C:24]([C:26](=[O:40])[NH:27][CH2:28][C:29]2[CH:34]=[CH:33][CH:32]=[C:31]([O:35][C:36]([F:39])([F:38])[F:37])[CH:30]=2)[N:23]=[N:22]1)[CH2:3][CH2:4][N:5]1[CH:10]=[CH:9][C:8]([NH:11]C(=O)OC(C)(C)C)=[N:7][C:6]1=[O:19]>C(Cl)Cl.C(O)(C(F)(F)F)=O>[NH2:11][C:8]1[CH:9]=[CH:10][N:5]([CH2:4][CH... | 2 |
COC(C1=CC(=C(C=C1)N)Br)=O>>BrC=1C=C(C(=O)OC)C=CC1I | 5 |
FC(C=1C=C(C=CC1)N=C=O)(F)F.FC1=CC=C(C=C1)N1C(=NC=CC1=O)C(C)NC>>FC1=CC=C(C=C1)N1C(=NC=CC1=O)C(C)N(C(=O)NC1=CC(=CC=C1)C(F)(F)F)C | 5 |
NC=1C=C(C=CC1C)NC(C1=NC=CC(=C1)C(F)(F)F)=O.FC=1C(=NC=CN1)C1=C2N=C(N(C2=NC=N1)C1OCCCC1)OC>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+].[Cl-].[NH4+]>COC=1N(C2=NC=NC(=C2N1)C=1C(=NC=CN1)NC=1C=C(C=CC1C)NC(C1=NC=CC(=C1)C(F)(F)F)=O)C1OCCCC1 | 3 |
BrC1=C(C(=NC=C1C)CCl)C.BrC1=C2N=CNC2=NC(=N1)N>>BrC1=C2N=CN(C2=NC(=N1)N)CC1=NC=C(C(=C1C)Br)C | 5 |
Cl.ON.O1C(=NC2=C1C=CC=C2)N(C2=NC=CC=C2)CC2=CC=C(C(=O)OC)C=C2>>NO.O1C(=NC2=C1C=CC=C2)N(C2=NC=CC=C2)CC2=CC=C(C(=O)NO)C=C2 | 5 |
[NH2:1][C:2]1[N:6]([CH2:7][C@H:8]([O:15][Si:16]([C:19]([CH3:22])([CH3:21])[CH3:20])([CH3:18])[CH3:17])[C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)[C:5]2[CH:23]=[CH:24][C:25]([N:27]([CH3:36])[C:28](=[O:35])[C:29]3[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=3)=[CH:26][C:4]=2[N:3]=1.[O:37]1[C:41]([C:42]2[S:46][C:45]([C:47](O)... | 2 |
O1C(CCCC1)N1N=CC2=C(C=CC=C12)CNC(C1=CC=C(C=C1)OC(F)(F)F)=O>C1CCCO1.CCO[H].Cl.C(O)([O-])=O.[Na+]>N1N=CC2=C(C=CC=C12)CNC(C1=CC=C(C=C1)OC(F)(F)F)=O | 3 |
[Br:1][C:2]1[C:6]([C:7]2[C:12]([F:13])=[CH:11][CH:10]=[CH:9][C:8]=2[F:14])=[C:5]([C:15]2[CH:20]=[CH:19][C:18]([Cl:21])=[CH:17][CH:16]=2)[NH:4][N:3]=1.[H-].[Na+].[CH3:24]I.O>CN(C)C=O>[Br:1][C:2]1[C:6]([C:7]2[C:8]([F:14])=[CH:9][CH:10]=[CH:11][C:12]=2[F:13])=[C:5]([C:15]2[CH:20]=[CH:19][C:18]([Cl:21])=[CH:17][CH:16]=2)[N... | 2 |
[OH:1][C:2]1[CH:19]=[CH:18][CH:17]=[C:16]2[C:3]=1[O:4][C:5](=[O:23])[C:6]1[C:15]2=[CH:14][CH:13]=[C:12]2[C:7]=1[C:8]([CH3:22])=[CH:9][C:10]([CH3:21])([CH3:20])[NH:11]2.CI.[C:26](=O)([O-])[O-].[K+].[K+]>CN(C)C=O.C(OCC)(=O)C>[CH3:26][O:1][C:2]1[CH:19]=[CH:18][CH:17]=[C:16]2[C:3]=1[O:4][C:5](=[O:23])[C:6]1[C:15]2=[CH:14][... | 1 |
OC=1C=C(OC2CN(C2)C(CCC(C(=O)N)(C2=CC=CC=C2)C2=CC=CC=C2)(C)C)C=CC1>>Cl.OC=1C=C(OC2CN(C2)C(CCC(C(=O)N)(C2=CC=CC=C2)C2=CC=CC=C2)(C)C)C=CC1 | 5 |
[F:1][C:2]1[CH:8]=[C:7]([F:9])[CH:6]=[CH:5][C:3]=1[NH2:4].N1C=CC=CC=1.Cl[C:17]([O:19][C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1)=[O:18].O>O1CCCC1.C(OCC)(=O)C>[F:1][C:2]1[CH:8]=[C:7]([F:9])[CH:6]=[CH:5][C:3]=1[NH:4][C:17](=[O:18])[O:19][C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1 | 1 |
C(C)(C)(C)OC(NCCCN1C(OC(C2=C1C=CC(=C2)C)=O)=O)=O>CO[H].[OH-].[Na+]>COC(C1=C(C=CC(=C1)C)NCCCNC(=O)OC(C)(C)C)=O | 3 |
[F:1][C:2]1[CH:19]=[CH:18][C:5]([C:6]([NH:8][C:9]2[CH:10]=[C:11]3[C:15](=[CH:16][CH:17]=2)[NH:14][N:13]=[CH:12]3)=[O:7])=[CH:4][CH:3]=1.C(=O)([O-])[O-].[Cs+].[Cs+]>CS(C)=O.O>[NH2:8][C:9]1[CH:10]=[CH:11][C:15]([N:14]2[C:15]3[C:11](=[CH:10][C:9]([NH:8][C:6](=[O:7])[C:5]4[CH:18]=[CH:19][C:2]([F:1])=[CH:3][CH:4]=4)=[CH:17]... | 1 |
[Cl:1][C:2]1[C:14]([Cl:15])=[C:13]([O:16][CH2:17][C:18]([O:20][CH3:21])=[O:19])[CH:12]=[C:11]2[C:3]=1[C:4]1[C:9]([CH2:22][CH3:23])([CH2:10]2)[CH2:8][CH2:7][C:6](=[O:24])[CH:5]=1.[O-][CH2:26][CH3:27]>C(Cl)Cl>[Cl:1][C:2]1[C:14]([Cl:15])=[C:13]([O:16][CH2:17][C:18]([O:20][CH2:21][C:27]2[CH:26]=[CH:4][CH:3]=[CH:2][CH:14]=2... | 1 |
CC1(C(=O)OC(C1)=O)C>C1CCCO1.CNC>CN(C(CC(C(=O)O)(C)C)=O)C | 3 |
[Br:1][C:2]1[CH:3]=[C:4]([CH2:9][C:10]([CH3:12])=[O:11])[CH:5]=[CH:6][C:7]=1[OH:8].C(=O)([O-])[O-].[K+].[K+].[CH3:19][O:20][CH2:21]Cl>CC(C)=O>[Br:1][C:2]1[CH:3]=[C:4]([CH2:9][C:10]([CH3:12])=[O:11])[CH:5]=[CH:6][C:7]=1[O:8][CH2:19][O:20][CH3:21] | 2 |
[CH3:1][O:2][C:3]1[CH:11]=[C:10]([N+:12]([O-:14])=[O:13])[CH:9]=[CH:8][C:4]=1[C:5]([OH:7])=O.[B-](F)(F)(F)F.CN(C(O[N:28]1[C:33](=O)[CH:32]=[CH:31][CH:30]=[CH:29]1)=[N+](C)C)C.CCN(CC)CC.N1CCCCC1.C([O-])(O)=O.[Na+]>C(#N)C.C(Cl)Cl.O.CCOC(C)=O>[CH3:1][O:2][C:3]1[CH:11]=[C:10]([N+:12]([O-:14])=[O:13])[CH:9]=[CH:8][C:4]=1[C:... | 1 |
[CH:1]1([CH:4]([C:11]2[CH:16]=[C:15]([O:17][CH2:18][C:19]3[CH:24]=[CH:23][C:22]([C:25]4[CH:30]=[C:29]([O:31][CH3:32])[CH:28]=[CH:27][C:26]=4[F:33])=[C:21]([CH2:34][C:35]([CH3:38])([CH3:37])[CH3:36])[N:20]=3)[N:14]=[CH:13][N:12]=2)[CH2:5][C:6]([O:8]CC)=[O:7])[CH2:3][CH2:2]1.[OH-].[Na+].Cl>C1COCC1.CO>[CH:1]1([CH:4]([C:11... | 1 |
C(CCC)(=O)OC(CCC)=O.C(C1=CC=CC=C1)N1C(N(C(C2=C1NN=C2NC)=O)CCC)=O>c1ccncc1>C(C1=CC=CC=C1)N1C(N(C(C=2C1=NN(C2NC)C(CCC)=O)=O)CCC)=O | 3 |
C(O[C:4](=[O:10])[C:5]([O:7][CH2:8][CH3:9])=[O:6])C.[CH2:11]([NH2:13])[CH3:12]>CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)C.[Cl-].ClCCl>[CH2:8]([O:7][C:5](=[O:6])[C:4]([NH:13][CH2:11][CH3:12])=[O:10])[CH3:9] | 1 |
[NH2:1][CH2:2][CH2:3][CH2:4][Si:5]([O:12][CH2:13][CH3:14])([O:9][CH2:10][CH3:11])[O:6][CH2:7][CH3:8].Cl[C:16]([O:18][CH2:19][CH3:20])=[O:17]>C(N(CC)CC)C>[CH2:19]([O:18][C:16](=[O:17])[NH:1][CH2:2][CH2:3][CH2:4][Si:5]([O:12][CH2:13][CH3:14])([O:6][CH2:7][CH3:8])[O:9][CH2:10][CH3:11])[CH3:20] | 1 |
C(OC([N:6]1[CH2:21][CH2:20][C:10]2[C:11]3[C:12](=O)[CH2:13][CH2:14][C:15]=3[C:16]([Cl:18])=[CH:17][C:9]=2[CH2:8][CH2:7]1)=O)C.[CH2:22]([Mg]Br)[CH3:23]>>[Cl:18][C:16]1[C:15]2[CH2:14][CH2:13][CH:12]([CH2:22][CH3:23])[C:11]=2[C:10]2[CH2:20][CH2:21][NH:6][CH2:7][CH2:8][C:9]=2[CH:17]=1 | 1 |
CC(CC1=C(C#N)C=C(C=C1)[N+](=O)[O-])C>O.CO[H].[Zn].C(=O)[O-].[NH4+]>NC=1C=CC(=C(C#N)C1)CC(C)C | 3 |
C(CC)OC=1C=C2C(=NC(=NC2=CC1)O)O>>ClC1=NC2=CC=C(C=C2C(=N1)Cl)OCCC | 5 |
[NH2:1][NH:2][C:3]([C:5]1[CH:10]=[CH:9][C:8]([C:11]([F:14])([F:13])[F:12])=[CH:7][N:6]=1)=[NH:4].[CH3:15][O:16][C:17]1[CH:18]=[C:19]([CH:22]=[CH:23][CH:24]=1)[CH:20]=O>>[CH3:15][O:16][C:17]1[CH:18]=[C:19]([C:20]2[NH:1][N:2]=[C:3]([C:5]3[CH:10]=[CH:9][C:8]([C:11]([F:12])([F:13])[F:14])=[CH:7][N:6]=3)[N:4]=2)[CH:22]=[CH:... | 2 |
C(C)(=O)OC(C)C.C(C1=CC=CC=C1)(=O)[C@@]([C@@](C(=O)O)(O)C(C1=CC=CC=C1)=O)(O)C(=O)O.C1=NC=CC2=C(C=CC=C12)N[C@H]1CN(CC1)C(=O)OC(C)(C)C>>N1C[C@@H](CC1)NC=1C=2C=CN=CC2C=CC1 | 5 |
[Cl:1][C:2]1[C:7]([CH2:8][N:9]2C(=O)C3=CC=CC=C3C2=O)=[CH:6][CH:5]=[C:4]([Cl:20])[N:3]=1.NN.O>CCO.CN(C=O)C>[Cl:1][C:2]1[C:7]([CH2:8][NH2:9])=[CH:6][CH:5]=[C:4]([Cl:20])[N:3]=1 | 1 |
S([C:5]1[S:9][C:8]([NH:10][S:11]([C:14]2[CH:19]=[CH:18][C:17]([NH:20][C:21](=[O:31])[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30])=[CH:16][CH:15]=2)(=[O:13])=[O:12])=[N:7][N:6]=1)(=O)(=O)N.NC1C=CC(S(NC2SC(S(N)(=O)=O)=NN=2)(=O)=O)=CC=1.C(N(CC)CC)C.[C:59](Cl)(=[O:69])CCCCCCCCC>C(#N)C>[OH:69][CH... | 1 |
ClC1=C(C(=O)O)C=C(C=C1)C(F)(F)F.O=C(CNC(=O)C1=CC=C(C=C1)C1=CC=CC=C1)N1CCNCC1>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.Cl.CN(CCCN=C=NCC)C>ClC1=C(C(=O)N2CCN(CC2)C(CNC(=O)C2=CC=C(C=C2)C2=CC=CC=C2)=O)C=C(C=C1)C(F)(F)F | 3 |
[Cl:1][C:2]1[CH:36]=[CH:35][C:5](/[CH:6]=[N:7]/[NH:8][C:9]([C:11]2[CH:16]=[C:15]([N:17]3[CH2:22][CH2:21][CH2:20][CH2:19][CH2:18]3)[CH:14]=[CH:13][C:12]=2[NH:23][C:24]([C:26]2[CH:27]=[C:28]([CH:32]=[CH:33][CH:34]=2)[C:29](O)=[O:30])=[O:25])=[O:10])=[CH:4][C:3]=1[C:37]([F:40])([F:39])[F:38].[NH2:41][CH2:42][CH2:43][O:44]... | 2 |
[CH3:1][O:2][C:3]1[CH:12]=[CH:11][C:6]2[C:7](=[O:10])[CH2:8][O:9][C:5]=2[C:4]=1[CH2:13][N:14]1[CH2:19][CH2:18][N:17]([C:20]([O:22][C:23]([CH3:26])([CH3:25])[CH3:24])=[O:21])[CH2:16][CH2:15]1.[S:27]([N:37]1[C:45]2[C:40](=[CH:41][CH:42]=[CH:43][CH:44]=2)[C:39]([CH:46]=O)=[CH:38]1)([C:30]1[CH:36]=[CH:35][C:33]([CH3:34])=[... | 1 |
IC1=NN(C2=CC=C(C=C12)NS(=O)(=O)C1=C(C=CC=C1)S(=O)(=O)C)C(=O)OC(C)(C)C.ClC1=CC=C(C=C1)/C=C/B(O)O>N(C)(C)C=O.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(O)([O-])=O.[Na+]>ClC1=CC=C(C=C1)/C=C/C1=NNC2=CC=C(C=C12)NS(=O)(=O)C1=C(C=CC=... | 3 |
BrCCCC(=O)OC.ClC=1C=C(C=CC1OC(C)C)NC(=O)C1=NOC(=C1)C1=CC=C(C=C1)O>C([O-])([O-])=O.[K+].[K+].CN(C(C)=O)C>ClC=1C=C(C=CC1OC(C)C)NC(=O)C1=NOC(=C1)C1=CC=C(OCCCC(=O)OC)C=C1 | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][C:11]=1[C:12]([N:14]1[CH2:18][CH2:17][CH2:16][CH2:15]1)=[O:13])[N:8]=[CH:7][N:6]=[C:5]2[NH:19][CH:20]([C:26]1[N:30](C(OC(C)(C)C)=O)[C:29]2[CH:38]=[CH:39][C:40]([Cl:42])=[CH:41][C:28]=2[N:27]=1)[CH2:21][CH2:22][C:23](O)=[O:24].[CH3:43][NH:44][CH2:45][C:46]([O:48]C(C)(C)C)=[O:47].C... | 1 |
ClC=1C(=CC=C2C=C(N=CC12)C)O[C@@H]1CC[C@@H](CC1)CC>>ClC=1C(=CC=C2C=C(N=CC12)C=O)O[C@@H]1CC[C@@H](CC1)CC | 5 |
NC1=C(C(=NN1C1=C(C=C(C=C1Cl)C(F)(F)F)Cl)SC)C(C1=C(C=CC(=C1)CCC(=O)OC)C)=O>C1CCCO1.CC(C)C[AlH]CC(C)C>NC1=C(C(=NN1C1=C(C=C(C=C1Cl)C(F)(F)F)Cl)SC)C(C1=C(C=CC(=C1)CCCO)C)=O | 3 |
NC1=C(C(=NC=C1)C#N)F>CC#N.C1(=CC=NC=C1)N(C)C.CCN(CC)CC>C(#N)C1=NC=CC(=C1F)NC(OC1=CC=CC=C1)=O | 3 |
C1COCCN1.BrCCOC(=O)N1CCC(CC1)NC(=O)C1=NNC=C1NC(C1=C(C=CC=C1Cl)Cl)=O>C1CCCO1.C(C)(C)N(C(C)C)CC>N1(CCOCC1)CCOC(=O)N1CCC(CC1)NC(=O)C1=NNC=C1NC(C1=C(C=CC=C1Cl)Cl)=O | 3 |
[C:1]([O:5][C:6]([NH:8][C@@H:9]([C@@H:19]([O:21][Si:22]([C:25]([CH3:28])([CH3:27])[CH3:26])([CH3:24])[CH3:23])[CH3:20])[C:10](=[O:18])SC1C=CC=CC=1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[CH:29](/B(O)O)=[CH:30]\[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH3:43].P(OCC)(OCC)... | 2 |
[C:1]([C:5]1[CH:6]=[C:7]2[N:16]=[CH:15][C:14]3[CH:13]=[C:12]([C:17]4[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=4)[C:11](=O)[NH:10][C:9]=3[N:8]2[N:24]=1)([CH3:4])([CH3:3])[CH3:2].S(Cl)([Cl:27])=O.CN(C=O)C>C(Cl)(Cl)Cl>[Cl:27][C:11]1[N:10]=[C:9]2[C:14]([CH:15]=[N:16][C:7]3[N:8]2[N:24]=[C:5]([C:1]([CH3:4])([CH3:3])[CH3:2])[CH:6... | 1 |
C[C@H]1N(C[C@@H](NC1)C)C(=O)OC(C)(C)C.FC(S(=O)(=O)OC(C1=CC=C(C=C1)F)C1=CC=C(C=C1)F)(F)F>CC#N.C(C)(=O)OCC.C(C)(C)N(C(C)C)CC>FC1=CC=C(C=C1)C(N1C[C@H](N(C[C@@H]1C)C(=O)OC(C)(C)C)C)C1=CC=C(C=C1)F | 3 |
[N:1]1[CH:6]=[CH:5][CH:4]=[C:3]([C:7]2[O:11][N:10]=[C:9]([C:12]([OH:14])=O)[CH:8]=2)[CH:2]=1.C(Cl)(=O)C([Cl:18])=O>ClCCl.CN(C)C=O>[N:1]1[CH:6]=[CH:5][CH:4]=[C:3]([C:7]2[O:11][N:10]=[C:9]([C:12]([Cl:18])=[O:14])[CH:8]=2)[CH:2]=1 | 1 |
C1(=CC=CC=C1)C1=NOC(=C1C(F)(F)F)CO>ClCCl.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O>C1(=CC=CC=C1)C1=NOC(=C1C(F)(F)F)C=O | 3 |
[C:1]([O:4][CH:5]([C:7]#[C:8][C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=1/[CH:15]=[N:16]\[OH:17])[CH3:6])(=[O:3])[CH3:2].[Br:18]N1C(=O)CCC1=O.[O-]S([O-])(=S)=O.[Na+].[Na+]>C(Cl)Cl>[C:1]([O:4][CH:5]([C:7]1[N+:16]([O-:17])=[CH:15][C:10]2[C:9]([C:8]=1[Br:18])=[CH:14][CH:13]=[CH:12][CH:11]=2)[CH3:6])(=[O:3])[CH3:2] | 2 |
[CH3:1][O:2][C:3]1[C:18]([O:19][CH3:20])=[CH:17][C:6]2[CH2:7][C:8](=[O:16])[N:9]([CH:12]([Cl:15])[CH2:13][CH3:14])[CH2:10][CH2:11][C:5]=2[CH:4]=1.[CH3:21][NH:22][CH2:23][CH2:24][C:25]1[CH:30]=[C:29]([O:31][CH3:32])[C:28]([O:33][CH3:34])=[C:27]([O:35][CH3:36])[CH:26]=1>>[ClH:15].[CH3:1][O:2][C:3]1[C:18]([O:19][CH3:20])=... | 1 |
CN.COC1=C(C=O)C=C(C=C1)N1N=NN=C1C(F)(F)F>>COC1=C(CNC)C=C(C=C1)N1N=NN=C1C(F)(F)F | 5 |
[C:1]([N:9]1[C:17]2[C:12](=[CH:13][C:14]([C:18]([O:20]CC3C=CC=CC=3)=[O:19])=[CH:15][CH:16]=2)[CH:11]=[CH:10]1)(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[H][H]>C(O)C.[Pd]>[C:1]([N:9]1[C:17]2[C:12](=[CH:13][C:14]([C:18]([OH:20])=[O:19])=[CH:15][CH:16]=2)[CH:11]=[CH:10]1)(=[O:8])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:... | 1 |
[CH:1](=O)[CH2:2][CH2:3][CH2:4][CH:5]=[O:6].[CH2:8]([C:15](O)=O)[C:9](CC(O)=O)=O.CC([O-])=O.[Na+].Cl.[CH2:24]([NH2:31])[C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1.C([O-])([O-])=O.[K+].[K+]>O.Cl.C(Cl)Cl>[CH2:24]([N:31]1[CH:3]2[CH2:2][CH2:1][CH2:15][CH:8]1[CH2:9][C:5](=[O:6])[CH2:4]2)[C:25]1[CH:30]=[CH:29][CH:28]=[CH:... | 1 |
C(C1=CC=CC=C1)Cl.OC1=CC2=C(C3CCC4CN(CC43CC2)C(C)=O)C=C1>>C(C1=CC=CC=C1)OC1=CC2=C(C3CCC4CN(CC43CC2)C(C)=O)C=C1 | 5 |
CI.COC1=C(C=C(C=C1)C1=NNC=C1)C>>COC1=C(C=C(C=C1)C1=NN(C=C1)C)C.COC1=C(C=C(C=C1)C1=CC=NN1C)C | 5 |
[CH:1]1([CH2:7][C:8](Cl)=[O:9])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.C1C=CC=CC=1.[CH:17]1([NH2:23])[CH2:22][CH2:21][CH2:20][CH2:19][CH2:18]1>C(Cl)Cl>[CH:17]1([NH:23][C:8](=[O:9])[CH2:7][CH:1]2[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]2)[CH2:22][CH2:21][CH2:20][CH2:19][CH2:18]1 | 1 |
FC1=CC=C(C=C1)C=1C(=CC(=CC1)S(=O)(=O)C)C(=O)O.ClC=1C=C(C=C(C1)Cl)N1CCNCC1>ClCCl.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>ClC=1C=C(C=C(C1)Cl)N1CCN(CC1)C(=O)C1=C(C=CC(=C1)S(=O)(=O)C)C1=CC=C(C=C1)F | 3 |
C(C)OC(CC1CCCC2=CC(=CC=C12)OCC=1C=C(C=CC1)C1=C(C=CC=C1C)C)=O>C1CCCO1.CCO[H].[OH-].[Na+]>CC1=C(C(=CC=C1)C)C1=CC(=CC=C1)COC=1C=C2CCCC(C2=CC1)CC(=O)O | 3 |
[OH:1][C@@H:2]1[CH2:25][CH2:24][C@@:23]2([CH3:26])[C@H:4]([CH2:5][C:6](=[O:28])[C@@H:7]3[C@@H:22]2[CH2:21][CH2:20][C@@:19]2([CH3:27])[C@H:8]3[CH2:9][CH2:10][C@@H:11]2[C@H:12]([CH3:18])[CH2:13][CH2:14][C:15]([OH:17])=[O:16])[CH2:3]1.S(=O)(=O)(O)O.[CH3:34]O>>[CH3:34][O:16][C:15](=[O:17])[CH2:14][CH2:13][C@H:12]([C@@H:11]... | 1 |
O=P(Cl)(Cl)[Cl:3].C[N:7]([CH:9]=O)[CH3:8].[CH2:11]([C:13]1[CH:17]=[C:16]([OH:18])N(C)[N:14]=1)[CH3:12].C([O-])([O-])=O.[K+].[K+]>ClCCl>[Cl:3][C:9]1[N:7]([CH3:8])[N:14]=[C:13]([CH2:11][CH3:12])[C:17]=1[CH:16]=[O:18] | 1 |
[OH:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[CH2:7][N:6]([C:11]([O:13][C:14]([CH3:17])([CH3:16])[CH3:15])=[O:12])[CH2:5]2.FC(F)(F)S(O[CH2:24][C:25]([F:28])([F:27])[F:26])(=O)=O>>[F:26][C:25]([F:28])([F:27])[CH2:24][O:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[CH2:7][N:6]([C:11]([O:13][C:14]([CH3:17])([CH3:16])[CH... | 2 |
[C:1]([C:4]1[CH:5]=[CH:6][C:7]([C:20]2[CH:25]=[CH:24][CH:23]=[C:22]([NH:26][C:27](=[O:35])[C:28]3[CH:33]=[CH:32][C:31]([F:34])=[CH:30][CH:29]=3)[C:21]=2[CH3:36])=[C:8]2[C:16]=1[NH:15][C:14]1[CH:13]=[C:12]([C:17](O)=[O:18])[CH:11]=[CH:10][C:9]2=1)(=[O:3])[NH2:2].C1C=[N:41]C2N(O)N=NC=2C=1.[OH-].[NH4+].C(Cl)CCl>C1COCC1>[F... | 1 |
C(C)=O.ClC1=CC=NC2=CC=CC=C12>C1CCCO1.C(C)(C)[N-]C(C)C.[Li+]>ClC1=C(C=NC2=CC=CC=C12)C(C)O | 3 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.