smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(=S)=S>C1(=CC=CC=C1)C.CC(=O)C.CC(C)(C)[O-].[Na+]>O=C(C=C([S-])[S-])C.[Na+].[Na+] | 3 |
CN(C=1C=C(C(=O)OCC)C=C(C1)\C=C\C1=CC(=C(C(=C1)C)OCOC)C)C>C1CCCO1.CCO[H].[OH-].[Na+].OC(=O)CC(O)(CC(O)=O)C(O)=O>CN(C=1C=C(C(=O)O)C=C(C1)\C=C\C1=CC(=C(C(=C1)C)OCOC)C)C | 3 |
C(C)(C)(C)OC(=O)NN=C1CCN(CC1)C(=O)OCC1=CC=CC=C1>C1CCCO1.C(#N)[BH3-].[Na+]>C(C)(C)(C)OC(=O)NNC1CCN(CC1)C(=O)OCC1=CC=CC=C1 | 3 |
C1(=CC=CC=C1)B(O)O.BrC=1C=C2C=C(N=CC2=CC1)Cl>O.[Zn].COCCOC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>ClC=1N=CC2=CC=C(C=C2C1)C1=CC=CC=C1 | 3 |
C(C1=CC=CC=C1)OC=1C=2N(C(=CC1)CC(=O)OC(C)(C)C)C=CN2>ClCCl.C(=O)(C(F)(F)F)O>C(C1=CC=CC=C1)OC=1C=2N(C(=CC1)CC(=O)O)C=CN2 | 3 |
[Cr](O[Cr]([O-])(=O)=O)([O-])(=O)=O.[NH+]1C=CC=CC=1.[NH+]1C=CC=CC=1.C(Cl)Cl.[S:25]1[CH:29]=[CH:28][CH:27]=[C:26]1[C:30]#[C:31][CH:32]([C:34]1[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=1)[OH:33]>C(OCC)C>[C:34]1([C:32](=[O:33])[C:31]#[C:30][C:26]2[S:25][CH:29]=[CH:28][CH:27]=2)[CH:35]=[CH:36][CH:37]=[CH:38][CH:39]=1 | 1 |
[CH3:1][C@H:2]1[C:9]([S:10][C@@H:11]2[CH2:15][NH:14][C@H:13]([C:16]([N:18]([CH3:20])[CH3:19])=[O:17])[CH2:12]2)=[C:8]([C:21]([OH:23])=[O:22])[N:7]2[C@H:3]1[C@@H:4]([C@H:24]([OH:26])[CH3:25])[C:5]2=[O:6].[OH:27]P([O-])(O)=O.[K+].C(Cl)Cl.C[OH:37]>O1CCCC1.O.[Zn]>[CH3:1][C@H:2]1[C:9]([S:10][C@@H:11]2[CH2:15][NH:14][C@H:13]... | 1 |
C(=O)C1=CC(=NC(=N1)C(F)(F)F)OC1CCN(CC1)C(=O)OC(C)(C)C>CO[H].[Na+].[BH4-]>OCC1=CC(=NC(=N1)C(F)(F)F)OC1CCN(CC1)C(=O)OC(C)(C)C | 3 |
C(C1=CC=CC=C1)OCCOC(=O)C1=CC=C(C=C1)C1=CC(=CC(=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1>>OCCOC(=O)C1=CC=C(C=C1)C1=CC(=CC(=C1)O)O | 5 |
[N+](=O)([O-])C=1C=C(C=O)C=CC1>CO[H].C([O-])([O-])=O.[K+].[K+].C1(=CC=C(C=C1)S(=O)(=O)C[N+]#[C-])C>O1C=NC=C1C=1C=C(C=CC1)[N+](=O)[O-] | 3 |
C(C)(C)(C)OC(NC1=CC(=CC=C1)NCCCCCC1=CC=CC=C1)=O>ClCCl.C(=O)(C(F)(F)F)O>C1(=CC=CC=C1)CCCCCNC1=CC(=CC=C1)N | 3 |
NC1=NC=NC(=C1C#N)Cl.FC=1C=CC2=C(N(C(=N2)[C@H](C)N)C=2N(N=CC2)C)C1>C(C)(C)N(C(C)C)CC.CC(C)O>NC1=NC=NC(=C1C#N)N[C@@H](C)C1=NC2=C(N1C=1N(N=CC1)C)C=C(C=C2)F | 3 |
BrC=1SC=CN1.NC=1C=NC=C(C1)B1OC(C)(C)C(C)(C)O1>O.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+]>S1C(=NC=C1)C=1C=C(C=NC1)N | 3 |
[Si](C)(C)(C(C)(C)C)OC(=O)N[C@H]1[C@@H](C2=CC=CC=C2C1)COCC(=O)OC(C)(C)C>>N[C@H]1[C@@H](C2=CC=CC=C2C1)COCC(=O)OC(C)(C)C | 5 |
[Si:1]([O:8][CH2:9][C:10]1[N:11]([CH3:24])[C:12]2[C:17]([CH:18]=1)=[CH:16][C:15]([CH:19]=[O:20])=[C:14]([C:21]([CH3:23])=[CH2:22])[CH:13]=2)([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2].[CH2:25]([Mg]Br)[CH2:26][CH:27]=[CH2:28]>C1COCC1>[Si:1]([O:8][CH2:9][C:10]1[N:11]([CH3:24])[C:12]2[C:17]([CH:18]=1)=[CH:16][C:15]([... | 2 |
BrC=1OC(=NN1)C=1C=C2C(=CN(C2=CC1)S(=O)(=O)C1=CC=C(C)C=C1)C1=NC(=CN=C1)C1CC1>>C1(CC1)C1=CN=CC(=N1)C1=CN(C2=CC=C(C=C12)C=1OC(=NN1)N1CCCC1)S(=O)(=O)C1=CC=C(C)C=C1 | 5 |
NC1=CC=NC=C1.ClC1=NN2C(C(=CC=C2)NCC2=C(C=CC=C2)OC)=N1>>COC1=C(CNC=2C=3N(C=CC2)N=C(N3)NC3=CC=NC=C3)C=CC=C1 | 3 |
C(C)(=O)Cl.C(C)N([S@](=O)C(C)(C)C)[C@H](C)C1=NC=CC(=C1)C=1N=C(C=2N(C1)C=CN2)OC>CO[H]>C(C)N[C@H](C)C1=NC=CC(=C1)C=1N=C(C=2N(C1)C=CN2)OC | 3 |
CC1(OC(C(C(O1)=O)C([C@H](CC1=CC=C(C=C1)C(F)(F)F)NC(OC(C)(C)C)=O)=O)=O)C>ClCCl.[Na+].[BH4-].C(C)(=O)O>CC1(OC(C(C(O1)=O)C[C@H](CC1=CC=C(C=C1)C(F)(F)F)NC(OC(C)(C)C)=O)=O)C | 3 |
CC1=CC(=NN1CC(=O)O)C(F)(F)F.FC1=C(C(=CC=C1)F)C1CC(=NO1)C=1N=C(SC1)C1CNNCC1>>FC1=C(C(=CC=C1)F)C1CC(=NO1)C=1N=C(SC1)C1CNN(CC1)C(CN1N=C(C=C1C)C(F)(F)F)=O | 5 |
C(C)(C)(C)OC(=O)N1CCC(CC1)O.FC1=NC=CC=C1.O=[Ag]S(=O)(=O)C(F)(F)F>C(C)(=O)OCC.[F-].[K+].F[B-](F)(F)F.F[B-](F)(F)F.ClC[N+]12CC[N+](CC1)(CC2)F.C[Si](C(F)(F)F)(C)C>FC(OC1CCN(CC1)C(=O)OC(C)(C)C)(F)F | 3 |
Cl.[F:2][C:3]1([F:8])[CH2:7][CH2:6][NH:5][CH2:4]1.N1CCCC1.CC(O[C:19]([NH:21][C@@H:22]([C:26]([OH:28])=O)[CH:23]1[CH2:25][CH2:24]1)=[O:20])(C)C.C(N[C@@H](C(O)=O)C(C)(C)C)(OC(C)(C)C)=O.[CH2:45]([N:47]1[CH:51]=[C:50]([C:52]2[N:57]=[C:56]3[C:58](C(O)=O)=[CH:59][N:60](COCC[Si](C)(C)C)[C:55]3=[N:54][CH:53]=2)[CH:49]=[N:48]1)... | 1 |
[Cl:1][C:2]1[C:10]([CH3:11])=[C:9]([Cl:12])[C:8]([OH:13])=[CH:7][C:3]=1[C:4]([OH:6])=[O:5].[N+:14]([O-])([OH:16])=[O:15]>C[N+]([O-])=O>[Cl:12][C:9]1[C:10]([CH3:11])=[C:2]([Cl:1])[C:3]([C:4]([OH:6])=[O:5])=[C:7]([N+:14]([O-:16])=[O:15])[C:8]=1[OH:13] | 1 |
ClC=1C=C(C=CC1C#N)N1N=C(C(=C1C)CC1=CC=C(C=C1)C(=O)NNC(C(=O)N)=O)C>>ClC=1C=C(C=CC1C#N)N1N=C(C(=C1C)CC1=CC=C(C=C1)C1=NN=C(O1)C#N)C | 5 |
[CH2:1]([O:4][C:5]1[CH:10]=[CH:9][C:8]([CH2:11][CH2:12][C:13]([OH:15])=O)=[CH:7][CH:6]=1)[CH:2]=[CH2:3].S(Cl)([Cl:18])=O>ClCCl>[CH2:1]([O:4][C:5]1[CH:10]=[CH:9][C:8]([CH2:11][CH2:12][C:13]([Cl:18])=[O:15])=[CH:7][CH:6]=1)[CH:2]=[CH2:3] | 2 |
C(C)OC(C(CN(C1CCCC1)C1=NC(=NC=C1[N+](=O)[O-])Cl)(F)F)=O>C(C)OCC.[Fe].Cl.C(C)(=O)OCC.C(C)(=O)O>ClC=1N=CC2=C(N(CC(C(N2)=O)(F)F)C2CCCC2)N1 | 3 |
C(C)(C)(C)OC(=O)N1CCC(CC1)CO>N(C)(C)C=O.O.ClCCl.CCN(CC)CC.CS(=O)(=O)Cl.[N-]=[N+]=[N-].[Na+]>N(=[N+]=[N-])CC1CCN(CC1)C(=O)OC(C)(C)C | 3 |
C1(=CC=CC=C1)C1=CC=C(C=C1)C(C(=O)O)C=C>O.C1CCCO1.C(C)OCC.[OH-].[Na+].[H-].[Al+3].[Li+].[H-].[H-].[H-]>C1(=CC=CC=C1)C1=CC=C(C=C1)C=CCCO | 3 |
[N:1]([CH:4]([C:6]1[N:7]([C:16]2[CH:21]=[CH:20][CH:19]=[C:18]([F:22])[CH:17]=2)[C:8]2[C:13]([CH:14]=1)=[CH:12][CH:11]=[C:10]([Cl:15])[CH:9]=2)[CH3:5])=[N+]=[N-].CP(C)C>O1CCCC1>[Cl:15][C:10]1[CH:9]=[C:8]2[C:13]([CH:14]=[C:6]([CH:4]([NH2:1])[CH3:5])[N:7]2[C:16]2[CH:21]=[CH:20][CH:19]=[C:18]([F:22])[CH:17]=2)=[CH:12][CH:1... | 1 |
BrC1=C(C=CC(=C1)F)S(=O)(=O)Cl.NC1=CC=C2C3C(COC2=C1C(=O)OC)C3>>BrC1=C(C=CC(=C1)F)S(=O)(=O)NC1=CC=C2C3C(COC2=C1C(=O)OC)C3 | 5 |
C(C1=CC=CC=C1)OC=1C=CC(=NC1)N1CCN(CC1)CC1=NC2=C(N1)C=CC=C2>[HH].C(C)(=O)OCC.[Pd]>N1C(=NC2=C1C=CC=C2)CN2CCN(CC2)C2=CC=C(C=N2)O | 3 |
[N+](=O)([O-])C1=C(C#N)C=C(C(=C1)OCC1CCN(CC1)C(=O)OC(C)(C)C)OC>>[N+](=O)([O-])C1=C(C#N)C=C(C(=C1)OCC1CCNCC1)OC | 5 |
BrC1=CC(=C(O[C@H]2C(OCC2)=O)C=C1)[N+](=O)[O-]>[Fe].C(C)(=O)O>BrC1=CC2=C(O[C@H](C(N2)=O)CCO)C=C1 | 3 |
C(CC1=CC=CC=C1)OCCC(=O)Cl.COC(CN[C@H](C)CC)OC>>[C@@H](C)(CC)N(C(CCOCCC1=CC=CC=C1)=O)CC(OC)OC | 5 |
COC1=C(C=CC=C1)N1CCNCC1.O=C1C=C(N=C(N1)SC(C(=O)O)CCC)CCC>N(C)(C)C=O.C1(=CC=NC=C1)N(C)C.CCN=C=NCCCN(C)C>COC1=C(C=CC=C1)N1CCN(CC1)C(C(CCC)SC1=NC(=CC(N1)=O)CCC)=O | 3 |
N#CN.ClC1=C(C=C(C=C1)OC1=C(C=C(C=C1)CCO)F)C(F)(F)F>>OS(=O)(=O)C(F)(F)F.C(N)(OCCC1=CC(=C(C=C1)OC1=CC(=C(C=C1)Cl)C(F)(F)F)F)=N | 5 |
C(C)(C)(C)OC(NCC1C(S(CC1)(=O)=N)(C)C)=O>ClCCl.C(=O)(C(F)(F)F)O>NCC1C(S(CC1)(=N)=O)(C)C | 3 |
[CH3:1][S:2](Cl)(=[O:4])=[O:3].[NH2:6][C:7]1[CH:15]=[CH:14][CH:13]=[C:12]2[C:8]=1[CH:9]=[CH:10][N:11]2[C:16]([C:23]1[CH:28]=[CH:27][C:26]([Cl:29])=[CH:25][CH:24]=1)([CH2:21][CH3:22])[C:17]([O:19][CH3:20])=[O:18].CN1CCOCC1>C(Cl)Cl>[Cl:29][C:26]1[CH:25]=[CH:24][C:23]([C:16]([N:11]2[C:12]3[C:8](=[C:7]([NH:6][S:2]([CH3:1])... | 1 |
CI.C(C1=CC=CC=C1)[C@H](C(=O)N1C(OC[C@@H]1CC1=CC=CC=C1)=O)\C=C\CC(=O)N1C(OC[C@@H]1CC1=CC=CC=C1)=O>>C(C1=CC=CC=C1)[C@H](C(=O)N1C(OC[C@@H]1CC1=CC=CC=C1)=O)\C=C\[C@@H](C(=O)N1C(OC[C@@H]1CC1=CC=CC=C1)=O)C | 5 |
[CH3:1][C:2]1[CH:6]=[C:5]([C:7]([OH:9])=O)[NH:4][N:3]=1.C1C=CC2N(O)N=NC=2C=1.N=C=N.[CH3:23][O:24][C:25]1[CH:26]=[C:27]([C:34]2[CH:38]=[CH:37][N:36]([CH2:39][CH2:40][NH2:41])[N:35]=2)[CH:28]=[CH:29][C:30]=1[N+:31]([O-:33])=[O:32].C(O)C(N)(CO)CO>CN(C=O)C.C(Cl)Cl>[CH3:23][O:24][C:25]1[CH:26]=[C:27]([C:34]2[CH:38]=[CH:37][... | 1 |
BrCC1=CC=C(C#N)C=C1.NC(C(CCC(=O)OC)N1C(C2=CC=CC(=C2C1)O)=O)=O>>O=C1NC(CCC1N1C(C2=CC=CC(=C2C1)OCC1=CC=C(C#N)C=C1)=O)=O | 5 |
COC(=O)C1=NC2=CC=CC(=C2C=C1)N=CC(CC(C)(C)C1=C(C(=CC=C1)F)OC)(C(F)(F)F)O>>COC(=O)C1=NC2=CC=CC(=C2C=C1)NC1C(CC(C2=C(C(=CC=C12)F)OC)(C)C)(C(F)(F)F)O | 5 |
CS(O[CH2:6][CH2:7][C:8]1[C:9](=[O:21])[O:10][C:11]2[CH:18]=[C:17]([O:19][CH3:20])[CH:16]=[CH:15][C:12]=2[C:13]=1[CH3:14])(=O)=O.[CH3:22][O:23][C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][C:25]=1[N:30]1[CH2:35][CH2:34][NH:33][CH2:32][CH2:31]1>C(O)C.CC(OC)(C)C>[CH3:20][O:19][C:17]1[CH:16]=[CH:15][C:12]2[C:13]([CH3:14])=[C:8]([C... | 1 |
[N:1]1([CH2:6][CH2:7][CH2:8][NH:9][C:10]([C:12]2[CH:17]=[CH:16][C:15]([N+:18]([O-])=O)=[CH:14][CH:13]=2)=[O:11])[CH:5]=[CH:4][N:3]=[CH:2]1.C1CCCCC=1>[Pd].C(O)C>[N:1]1([CH2:6][CH2:7][CH2:8][NH:9][C:10]([C:12]2[CH:13]=[CH:14][C:15]([NH2:18])=[CH:16][CH:17]=2)=[O:11])[CH:5]=[CH:4][N:3]=[CH:2]1 | 1 |
[CH2:1]([N:8]1[C:12]2=[N:13][C:14]3[C:19]([C:20]([NH2:21])=[C:11]2[CH2:10][CH2:9]1)=[CH:18][C:17]([Br:22])=[CH:16][CH:15]=3)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1>CN(C)C=O.C(N=P1(N(CC)CC)N(C)C=CN1C)(C)(C)C.C(Br)C1C=CC=CC=1>[CH2:20]([N:21]([C:20]1[C:19]2[C:14](=[CH:15][CH:16]=[C:17]([Br:22])[CH:18]=2)[N:13]=[C:12]2[N:... | 2 |
CN1[C@@H]2C[C@H](C[C@H]1[C@H]3[C@H]2O3)OC(=O)[C@H](CO)C=4C=CC=CC4>>CN1C2C3OC3C1CC(C2)O | 5 |
NC1N=C(N[C@H]([C:11]2[N:12](C3C=CC=CC=3)[C:13](=[O:22])[C:14]3[C:19]([CH:20]=2)=CC=CC=3Cl)C)C(C#N)=CN=1.[NH2:31][C:32]1[N:37]=[C:36]([NH:38][C@H:39]([C:41]2[N:42]([C:53]3[CH:58]=[CH:57][CH:56]=[CH:55][CH:54]=3)[C:43](=[O:52])[C:44]3[C:49]([CH:50]=2)=[CH:48][CH:47]=[CH:46][C:45]=3Cl)[CH3:40])[C:35]([C:59]([O:61][CH2:62]... | 1 |
[C:1]([O:5][C@@H:6]([C:12]1[C:46]([CH3:47])=[CH:45][C:15]2[N:16]=[C:17]([C:19]3[CH:24]=[CH:23][N:22]=[C:21]([C:25]4[CH:26]=[C:27]5[C:31](=[CH:32][CH:33]=4)[N:30]([CH:34]4[CH2:37][N:36](C(OC(C)(C)C)=O)[CH2:35]4)[N:29]=[CH:28]5)[CH:20]=3)[S:18][C:14]=2[C:13]=1[C:48]1[CH:53]=[CH:52][C:51]([Cl:54])=[CH:50][CH:49]=1)[C:7]([... | 1 |
C(C)(C)(C)OC(=O)NC1=NC=CC(=N1)C1=C(C=2C(NC(CC2N1)C(=O)OC)=O)NC1=C(C(=CC=C1)Cl)OC>C1CCCO1.CC(C)C[AlH]CC(C)C.[OH-].[Na+].[Cl-].[NH4+]>ClC=1C(=C(C=CC1)NC1=C(NC2=C1C(NC(C2)CO)=O)C2=NC(=NC=C2)NC(OC(C)(C)C)=O)OC | 3 |
[CH3:1][S:2]([NH:5][C:6]1[CH:11]=[CH:10][C:9]([C:12]2[C:21](=[O:22])[C:20]3[C:15](=[CH:16][C:17]([O:23][CH2:24][C:25]4[CH:26]=[C:27]([CH:31]=[CH:32][CH:33]=4)[C:28]([OH:30])=[O:29])=[CH:18][CH:19]=3)[O:14][CH:13]=2)=[CH:8][CH:7]=1)(=[O:4])=[O:3].[CH2:34]([N:36]([CH2:39][CH3:40])[CH2:37][CH3:38])[CH3:35].ClC1C=C(Cl)C=C(... | 1 |
C[Al](C)C.[NH2:5][C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1.C([O:14][C:15]([C:17]1[N:21]2[N:22]=[C:23]([Cl:27])[C:24]([CH3:26])=[CH:25][C:20]2=[N:19][CH:18]=1)=O)C>ClCCl>[C:6]1([NH:5][C:15]([C:17]2[N:21]3[N:22]=[C:23]([Cl:27])[C:24]([CH3:26])=[CH:25][C:20]3=[N:19][CH:18]=2)=[O:14])[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1 | 2 |
S(Cl)(Cl)=O.[CH3:5][C:6]1[CH:14]=[CH:13][C:12]([N+:15]([O-:17])=[O:16])=[CH:11][C:7]=1[C:8]([OH:10])=[O:9].[CH3:18]O>>[CH3:5][C:6]1[CH:14]=[CH:13][C:12]([N+:15]([O-:17])=[O:16])=[CH:11][C:7]=1[C:8]([O:10][CH3:18])=[O:9] | 1 |
[F:1][C:2]([F:6])([F:5])[CH:3]=[CH2:4].[SH:7][CH2:8][CH2:9][C:10]([O:12][CH3:13])=[O:11].COC(OC)(C1C=CC=CC=1)C(C1C=CC=CC=1)=O>C1(C)C=CC=CC=1>[CH3:13][O:12][C:10](=[O:11])[CH2:9][CH2:8][S:7][CH2:4][CH2:3][C:2]([F:6])([F:5])[F:1] | 1 |
O=C(OCC)CC(=O)OCC>C1CCCO1.C(C)OCC.C=O.C(=O)(C(F)(F)F)O.C(C)(C)NC(C)C>C=C(C(=O)OCC)C(=O)OCC | 3 |
[C:1]([C:3]1[S:4][C:5]2[C:11]([C:12]#[N:13])=[C:10](/[N:14]=[CH:15]/[N:16](C)C)[CH:9]=[CH:8][C:6]=2[N:7]=1)#[N:2].N[C:20]1[CH:21]=[CH:22][C:23]2[NH:27][CH:26]=[N:25][C:24]=2[CH:28]=1.[K+].[Br-]>C(Cl)Cl.CO>[NH:25]1[C:24]2[CH:28]=[C:20]([NH:13][C:12]3[C:11]4[C:10](=[CH:9][CH:8]=[C:6]5[N:7]=[C:3]([C:1]#[N:2])[S:4][C:5]5=4... | 1 |
BrC1CCC1.ClC=1C=CC(=C(C1)CN1N=C(C=C1)C(=O)NC1=C(C=CC=C1F)F)O>>ClC=1C=CC(=C(C1)CN1N=C(C=C1)C(=O)NC1=C(C=CC=C1F)F)OC1CCC1 | 5 |
[Si]([O:8][CH2:9][C:10]1[N:14]2[C:15](=[O:42])[N:16]([CH:18]3[CH2:23][CH2:22][N:21]([C:24](=[O:41])[CH2:25][CH2:26][S:27]([C:30]4[CH:39]=[CH:38][C:37]5[C:32](=[CH:33][CH:34]=[C:35]([Cl:40])[CH:36]=5)[CH:31]=4)(=[O:29])=[O:28])[CH2:20][CH2:19]3)[CH2:17][C:13]2=[CH:12][N:11]=1)(C(C)(C)C)(C)C.C1COCC1.O>C(O)(=O)C>[Cl:40][C... | 2 |
BrC=1C=C(CO)C=CC1Cl>N(C)(C)C=O.C1CCCO1.C(CCC)[Li]>ClC1=C(C=O)C=C(C=C1)CO | 3 |
[CH2:1]([C:3]1[N:11]=[C:10]([O:12][CH3:13])[C:9]([NH:14][C:15]([N:17]2[CH2:22][CH2:21][N:20]([C:23]3[CH:28]=[C:27]([F:29])[CH:26]=[C:25]([F:30])[CH:24]=3)[CH2:19][CH2:18]2)=[O:16])=[CH:8][C:4]=1[C:5](O)=[O:6])[CH3:2].[CH:31]1[C:44]2[C:35](=[N:36][C:37]3[C:42]([C:43]=2[NH:45][C:46]2[CH:47]=[C:48]([CH2:53][OH:54])[CH:49]... | 1 |
[CH:1]1[C:13]2[CH:12]([CH2:14][O:15][C:16]([NH:18][C@:19]34[CH2:55][CH2:54][C@@H:53]([C:56]5([CH3:59])[CH2:58][O:57]5)[C@@H:20]3[C@@H:21]3[C@@:34]([CH3:37])([CH2:35][CH2:36]4)[C@@:33]4([CH3:38])[C@@H:24]([C@:25]5([CH3:52])[C@@H:30]([CH2:31][CH2:32]4)[C:29]([CH3:40])([CH3:39])[C:28]([C:41]4[CH:50]=[CH:49][C:44]([C:45]([... | 2 |
[C:1]([C:3]1[CH:8]=[CH:7][C:6]([NH:9][C:10](=[O:18])[CH2:11][CH2:12][CH2:13][CH2:14][C:15]([OH:17])=O)=[CH:5][CH:4]=1)#[N:2].[CH2:19]([N:21]1[C:33]2[CH:32]=[CH:31][C:30]([NH2:34])=[CH:29][C:28]=2[C:27]2[C:22]1=[CH:23][CH:24]=[CH:25][CH:26]=2)[CH3:20]>>[C:1]([C:3]1[CH:4]=[CH:5][C:6]([NH:9][C:10](=[O:18])[CH2:11][CH2:12]... | 1 |
C(C)(C)(C)OC(NC1CCC(CC1)NC=1C=2N(C=CN1)C(=CN2)C2=NC(=NC=C2)NC(CCNC(=O)OC(C)(C)C)C2=CC=CC=C2)=O>CCO[H].Cl>NCCC(C1=CC=CC=C1)NC1=NC=CC(=N1)C1=CN=C2N1C=CN=C2NC2CCC(CC2)N | 3 |
CN.CO.FC1=C(C(=CC=C1)F)N1N=C(C=C1S(=O)(=O)C1=CC=CC=C1)C(=O)OCC>CO[H]>FC1=C(C(=CC=C1)F)N1N=C(C=C1S(=O)(=O)C1=CC=CC=C1)C(=O)NC | 3 |
[O:1]1[CH:5]=[CH:4][CH:3]=[CH:2]1.[C:6]([OH:10])(=[O:9])C=C.B.[CH2:12]1COC[CH2:13]1>>[C@H:5]12[O:1][C@H:2]([CH:12]=[CH:13]1)[CH2:3][C@@H:4]2[C:6]([OH:10])=[O:9] | 2 |
C(OC(=O)[NH:6][C:7]1[CH:12]=[CH:11][CH:10]=[C:9]([C:13]2[N:14]=[C:15]([CH3:36])[S:16][C:17]=2[C:18]2[CH:23]=[CH:22][N:21]=[C:20]([NH:24][C:25]3[CH:34]=[C:33]4[C:28]([CH2:29][CH2:30][N:31]([CH3:35])[CH2:32]4)=[CH:27][CH:26]=3)[N:19]=2)[CH:8]=1)C=C.C([SnH](CCCC)CCCC)CCC.O>C(Cl)Cl.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=C... | 2 |
BrC1=CC=C(C(=N1)C(=O)O)Cl>S(O)(O)(=O)=O.CCO[H]>BrC1=CC=C(C(=N1)C(=O)OCC)Cl | 3 |
COC=1C(=NC(=CC1)C)[N+](=O)[O-]>BrN1C(CCC1=O)=O.C(C1=CC=CC=C1)(=O)OOC(C1=CC=CC=C1)=O.C(Cl)(Cl)(Cl)Cl>BrCC1=CC=C(C(=N1)[N+](=O)[O-])OC | 3 |
OCC1=C(C=CC(=N1)CCCCC(=O)OC)C>ClCCl.[O-2].[O-2].[Mn+4]>C(=O)C1=C(C=CC(=N1)CCCCC(=O)OC)C | 3 |
FC=1C=C(C=CC1)C1=NNC2=CC(=C(C=C12)C#N)OC>>FC=1C=C(C=CC1)C1=NNC2=CC(=C(C=C12)CN)OC | 5 |
[NH2:1][CH2:2][CH2:3][NH:4][C:5](=[O:28])[C:6]1[CH:11]=[CH:10][CH:9]=[C:8]([NH:12][C:13]2[N:18]=[C:17]([NH:19][C:20]3[CH:25]=[C:24]([OH:26])[CH:23]=[CH:22][C:21]=3[CH3:27])[CH:16]=[CH:15][N:14]=2)[CH:7]=1.[OH:29][C:30]1[CH:31]=[C:32]2[C:41](=[CH:42][CH:43]=1)[C:40]([C:44]1[CH:49]=[CH:48][C:47]([C:50](O)=[O:51])=[CH:46]... | 2 |
NO.ClC=1C=C(C#N)C=CC1OC(C)C>CCO[H]>ClC=1C=C(C(=N)NO)C=CC1OC(C)C | 3 |
[NH4+].[Cl-].[CH2:3]([O:10][C:11]1[C:12]([F:25])=[CH:13][C:14]([N+:22]([O-])=O)=[C:15]([CH:21]=1)[C:16]([O:18][CH2:19][CH3:20])=[O:17])[C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1>O.C(O)(C)C.C1COCC1>[NH2:22][C:14]1[CH:13]=[C:12]([F:25])[C:11]([O:10][CH2:3][C:4]2[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=2)=[CH:21][C:15]=1[C:16]([O:1... | 1 |
C1(CC1)CNC(=O)/C=C/CCC(=O)OC>ClCCl.ClC=1C=C(C(=O)OO)C=CC1.[O-]S(=O)[O-].[Na+].[Na+]>C1(CC1)CNC(=O)C1C(O1)CCC(=O)OC | 3 |
BrC1=CC(=C(C=C1)S(=O)(=O)Cl)OC(F)(F)F.Cl.C1(NCCC12CNCCC2)=O>ClCCl.CCN(CC)CC>BrC1=CC(=C(C=C1)S(=O)(=O)N1CC2(CCNC2=O)CCC1)OC(F)(F)F | 3 |
FC(C=1C=C(C=CC1)C#CC1=C(N=C2N1C=CC=C2)CN2C(C1=CC=CC=C1C2=O)=O)(F)F>>FC(C=1C=C(C=CC1)C#CC1=C(N=C2N1C=CC=C2)CN)(F)F | 5 |
[ClH:1].[S:2]1[C:6]2[CH:7]=[CH:8][CH:9]=[CH:10][C:5]=2[C:4]([N:11]2[CH2:16][CH2:15][N:14]([CH2:17][C@@H:18]3[CH2:23][CH2:22][CH2:21][CH2:20][C@H:19]3[CH2:24][N:25]3[C:33](=[O:34])[C@H:32]4[C@H:27]([C@H:28]5[CH2:35][C@@H:31]4[CH2:30][CH2:29]5)[C:26]3=[O:36])[CH2:13][CH2:12]2)=[N:3]1.Cl>C(OCC)(=O)C>[OH2:34].[OH2:34].[ClH... | 2 |
[C:1]([C:3]1[CH:14]=[CH:13][C:6]([CH2:7][N:8]2[CH2:12][CH2:11][CH2:10][CH2:9]2)=[CH:5][CH:4]=1)#[CH:2].CCN(C(C)C)C(C)C.[CH3:24][O:25][C:26](=[O:39])[CH:27]=[CH:28][C:29]1[CH:34]=[CH:33][C:32]([CH2:35][N:36]=[N+:37]=[N-:38])=[CH:31][CH:30]=1.O=C1O[C@H]([C@H](CO)O)C([O-])=C1O.[Na+]>CN(C=O)C.[Cu]I>[CH3:24][O:25][C:26](=[O... | 2 |
C1=C(C(=CC=C1)Br)Br.C1(=CC=CC=C1)O>>BrC1=C(C=CC=C1)OC1=CC=CC=C1 | 5 |
ClC[Si](C)(C)C.NC1=C(C=C(C=C1)C=1SC=CC1)NC(C1=CC=C(C=C1)C(C(=O)N)N)=O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].[I-].[K+]>NC(C(NC[Si](C)(C)C)C1=CC=C(C(=O)NC2=C(C=CC(=C2)C=2SC=CC2)N)C=C1)=O | 3 |
BrC1=C(C(=O)N)C=C(C=C1)F>O.NN.C(C)(=O)O.COC(N(C)C)OC.C(O)([O-])=O.[Na+]>O[C@H]1[C@H](CCC1)NCC=1NC=2C(N(C=C(C2C1)C1CC1)C=1C=C(C=C(C1)F)C1=C(C=C(C=C1)F)C1=NN=CN1C(F)F)=O | 3 |
ClC1=CC=C(C(=O)CCCCC(=O)O)C=C1>C1(=CC=CC=C1)C.ClS(Cl)=O>ClC1=CC=C(C(=O)CCCCC(=O)Cl)C=C1 | 3 |
CS([C:5]1[N:10]=[C:9]([N:11]2[C:15]3[CH:16]=[CH:17][CH:18]=[CH:19][C:14]=3[N:13]=[CH:12]2)[CH:8]=[CH:7][N:6]=1)(=O)=O.[CH2:20]([O:27][C:28]([N:30]1[CH2:34][CH2:33][CH:32](CN)[CH2:31]1)=[O:29])[C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1.[CH3:37][N:38](C=O)C>C1(C)C=CC=CC=1.CCOC(C)=O>[CH2:20]([O:27][C:28]([N:30]1[CH2:3... | 1 |
C(C1=CC=CC=C1)N.BrC(C(=O)OC)CBr>>C(C1=CC=CC=C1)N1C(C1)C(=O)OC | 5 |
C1(CC1)N1CCNCC1.ClC1=C(C=C2C(C(=CN(C2=C1)C1CC1)C(=O)O)=O)F>O.CS(=O)C.N12CCN(CC1)CC2>C1(CC1)N1C=C(C(C2=CC(=C(C=C12)N1CCN(CC1)C1CC1)F)=O)C(=O)O | 3 |
ClC1=CC(=NC=C1)CO>C(Cl)(Cl)(Cl)[H].[O-2].[O-2].[Mn+4]>ClC1=CC(=NC=C1)C=O | 3 |
CI.CC1=C(N=C2N1C=CC(=C2)C)CCC2=CC1=C(N=C(O1)[S-])C=C2.[K+]>CO[H]>CC1=C(N=C2N1C=CC(=C2)C)CCC2=CC1=C(N=C(O1)SC)C=C2 | 3 |
[CH:1]1([CH2:5][OH:6])[CH2:4][CH2:3][CH2:2]1.[CH3:7][S:8](Cl)(=[O:10])=[O:9].C(N(CC)CC)C>CCOCC>[CH3:7][S:8]([O:6][CH2:5][CH:1]1[CH2:4][CH2:3][CH2:2]1)(=[O:10])=[O:9] | 1 |
ClC1=C(OC=2C=CC(=C(OC(C(=O)Cl)C)C2)[N+](=O)[O-])C=CC(=C1)C(F)(F)F.OCN1N=CC=C1>C1(=CC=CC=C1)C.CCN(CC)CC>ClC1=C(OC=2C=CC(=C(OC(C(=O)OCN3N=CC=C3)C)C2)[N+](=O)[O-])C=CC(=C1)C(F)(F)F | 3 |
COCCO.ClC1=C(C(=O)NC(NC=2SC3=C(N2)C=CC(=C3)S(=O)(=O)C=C)=O)C=CC=C1>C1CCCO1.[H-].[Na+]>ClC1=C(C(=O)NC(NC=2SC3=C(N2)C=CC(=C3)S(=O)(=O)CCOCCOC)=O)C=CC=C1 | 3 |
C(OC([N:8]1[CH2:17][CH2:16][CH2:15][C:14]2[NH:13][N:12]=[C:11]([C:18]3[CH:23]=[CH:22][C:21]([Cl:24])=[CH:20][CH:19]=3)[C:10]=2[CH2:9]1)=O)(C)(C)C.[F:25][C:26]1[CH:27]=[C:28]([CH:31]=[CH:32][C:33]=1[F:34])[CH2:29]Br>>[Cl:24][C:21]1[CH:20]=[CH:19][C:18]([C:11]2[C:10]3[CH2:9][NH:8][CH2:17][CH2:16][CH2:15][C:14]=3[N:13]([C... | 1 |
C(C)(=O)OC(C)=O.C(C)C1=CC=C(OC2=CC=C(C(=O)NCC(=O)O)C=C2)C=C1>>C(C)C1=CC=C(OC2=CC=C(C=C2)C=2OC(CN2)=O)C=C1 | 5 |
[NH2:1][C@@H:2]([CH2:6][CH2:7][C@H:8]([NH2:30])[CH2:9][C@@H:10]1[C@@H:14]([O:15]CC#C)[C@@H:13]([OH:19])[C@H:12]([N:20]2[CH:28]=[N:27][C:26]3[C:21]2=[N:22][CH:23]=[N:24][C:25]=3[NH2:29])[O:11]1)[C:3]([OH:5])=[O:4].O=C1O[C@H]([C@H](CO)O)C([O-])=C1O.[Na+].[N-]=[N+]=[N-].C(#N)C.O.C(O)(C(F)(F)F)=O>O.CN(C=O)C.S([O-])([O-])(=... | 1 |
[CH:1]1[C:10]2[CH2:9][CH2:8][CH2:7][CH2:6][C:5]=2[CH:4]=[C:3](O)[N:2]=1.O=P(Cl)(Cl)[Cl:14].C(=O)(O)[O-].[Na+]>>[Cl:14][C:3]1[N:2]=[CH:1][C:10]2[CH2:9][CH2:8][CH2:7][CH2:6][C:5]=2[CH:4]=1 | 2 |
OC=1C=C(C=CC1)B(O)O.BrC1=CC=CC=2N1N=C(N2)NC2=CC=C(C(=O)N)C=C2>O.O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].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]>OC=1C=C(C=CC1)C1=CC=CC=2N1N=C(N2)NC2=CC=C(C(=O)N)C=C2 | 3 |
Br[C:2]1[CH:3]=[CH:4][C:5]2[N:6]([C:8]([C:11]([N:13]3[CH2:18][CH2:17][CH:16]([C:19]4[CH:24]=[C:23]([F:25])[CH:22]=[CH:21][C:20]=4[C:26]([F:29])([F:28])[F:27])[CH2:15][CH2:14]3)=[O:12])=[N:9][N:10]=2)[CH:7]=1.[CH3:30][N:31](C=O)C>C(=O)(O)[O-].[Na+].[C-]#N.[Zn+2].[C-]#N.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC... | 1 |
Cl.C12(CC3CC(CC(C1)C3)C2)N.ClC1=C(C(=CC(=C1)C(F)(F)F)Cl)N1CC(CN(S1(=O)=O)CC(=O)O)C>>ClC1=C(C(=CC(=C1)C(F)(F)F)Cl)N1C[C@H](CN(S1(=O)=O)CC(=O)NC1C2CC3(CC(CC1C3)C2)C(=O)N)C | 5 |
[Br:1][C:2]1[CH:3]=[C:4]([CH2:9][NH:10][C:11]([C@@H:13]2[CH2:17][C@@H:16]([F:18])[CH2:15][N:14]2C(OC(C)(C)C)=O)=[O:12])[CH:5]=[C:6]([F:8])[CH:7]=1.Cl>O1CCOCC1>[Br:1][C:2]1[CH:3]=[C:4]([CH:5]=[C:6]([F:8])[CH:7]=1)[CH2:9][NH:10][C:11]([C@@H:13]1[CH2:17][C@@H:16]([F:18])[CH2:15][NH:14]1)=[O:12] | 2 |
C[Si](C)(C)C#C.CN(S(=O)(=O)C=1C(=CC(=C(C(=O)OCC)C1)OCC)I)C>[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>CN(S(=O)(=O)C=1C(=CC(=C(C(=O)OCC)C1)OCC)C#C[Si](C)(C)C)C | 3 |
[CH3:1][O:2][C:3]1[CH:21]=[C:20]([O:22][CH3:23])[CH:19]=[CH:18][C:4]=1[CH2:5][NH:6][CH:7]([C:13]([O:15][CH2:16][CH3:17])=[O:14])[C:8]([O:10][CH2:11][CH3:12])=[O:9].C(N(CC)CC)C.Br[CH:32]([CH2:36][CH3:37])[C:33](Cl)=[O:34]>C1C=CC=CC=1>[CH3:1][O:2][C:3]1[CH:21]=[C:20]([O:22][CH3:23])[CH:19]=[CH:18][C:4]=1[CH2:5][N:6]1[C:3... | 1 |
Cl[CH2:2][CH2:3][N:4]1[CH:8]=[CH:7][N:6]([CH:9]([CH3:11])[CH3:10])[C:5]1=[O:12].Cl.[NH:14]1[CH2:19][CH2:18][CH:17]([CH2:20][OH:21])[CH2:16][CH2:15]1.C(N(CC)CC)C>CN(C=O)C>[OH:21][CH2:20][CH:17]1[CH2:18][CH2:19][N:14]([CH2:2][CH2:3][N:4]2[CH:8]=[CH:7][N:6]([CH:9]([CH3:11])[CH3:10])[C:5]2=[O:12])[CH2:15][CH2:16]1 | 1 |
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