smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(C=C)(=O)OC(C)(C)C.[Cl-].C(C=C)OCC1=C(C=CC=C1)C[NH3+]>CO[H].CCN(CC)CC.C(C)(=O)OCC>C(C=C)OCC1=C(C=CC=C1)CNCCC(=O)OC(C)(C)C | 3 |
CC1(OCC(O1)CC1=C(C=C2CCC(NC2=C1)=O)OC)C>>OC(CC1=C(C=C2CCC(NC2=C1)=O)OC)CO | 5 |
I[Si](C)(C)C.C(C)(C)(C)OC(=O)N(C1=CC=C(S1)C(=O)O)CC#CC=1N(C2=CC=CC(=C2C1)NC1CCN(CC1)C)CC(F)(F)F>C1(=NC(=CC=C1)C)C.ClCCl>CN1CCC(CC1)NC1=C2C=C(N(C2=CC=C1)CC(F)(F)F)C#CCNC1=CC=C(S1)C(=O)O | 3 |
FC=1C=C(C(=O)O)C=CC1.CC1NCCC(C1)N1CC(C1)(N1N=CC(=C1)C=1C2=C(N=CN1)N(C=C2)COCC[Si](C)(C)C)CC#N>N(C)(C)C=O.CCN(CC)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1C=CC=C2)O[P+](N(C)C)(N(C)C)N(C)C>FC=1C=C(C(=O)N2C(CC(CC2)N2CC(C2)(N2N=CC(=C2)C=2C3=C(N=CN2)N(C=C3)COCC[Si](C)(C)C)CC#N)C)C=CC1 | 3 |
CI.FC(C=1C=C(CN(C2C3=C(N(CCC2)C(=O)OC(C)C)C=C(C=C3)Cl)C3=NN=NN3)C=C(C1)C(F)(F)F)(F)F>>FC(C=1C=C(CN(C2C3=C(N(CCC2)C(=O)OC(C)C)C=C(C=C3)Cl)C=3N=NN(N3)C)C=C(C1)C(F)(F)F)(F)F | 5 |
CNC1=NC2=CC=C(C=C2C=N1)B1OC(C(O1)(C)C)(C)C.IC=1C(=CC=C2C(=NN(C12)C)N)C>O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].[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>NC1=NN(C2=C(C(=CC=C12)C)C=1C=C2C=NC(=NC2=CC1)NC)C | 3 |
[C:1]([O:5][C:6](=[O:20])[NH:7][C:8]1[CH:13]=[C:12]([CH3:14])[C:11]([C:15]([F:18])([F:17])[F:16])=[CH:10][C:9]=1[NH2:19])([CH3:4])([CH3:3])[CH3:2].C([O:25][C:26](=O)[CH2:27][C:28]([C:30]1[CH:35]=[CH:34][CH:33]=[C:32]([C:36]2[CH:41]=[N:40][CH:39]=[C:38]([CH3:42])[N:37]=2)[CH:31]=1)=[O:29])(C)(C)C>>[C:1]([O:5][C:6](=[O:2... | 1 |
N(=[N+]=[N-])C[C@H]1CN(C[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)OCC1=CC=CC=C1>>N(=[N+]=[N-])C[C@H]1CN(C[C@@H]1O)C(=O)OCC1=CC=CC=C1 | 5 |
FC=1C=C(C=CC1[N+](=O)[O-])C.Cl.C(C)OC(C[C@H](CCC1=CC=CC=C1)N)=O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC>C(C)OC(C[C@H](CCC1=CC=CC=C1)NC1=C(C=CC(=C1)C)[N+](=O)[O-])=O | 3 |
C(C(C)C)N.BrC1=CC(=C(C=C1)[N+](=O)[O-])F>>BrC=1C=CC(=C(NCC(C)C)C1)[N+](=O)[O-] | 5 |
FC(S(=O)(=O)OC=1C=C2C(=CC1)OC1=NC=C(C=C1[C@@]21N=C(OC1)N)C#CC(C)(C)O)(F)F>>NC=1OC[C@]2(N1)C1=CC(=CC=C1OC1=NC=C(C=C12)C#CC(C)(O)C)C1=CC=CC=C1 | 5 |
[C:1]1([N:7]2[N:11]=[C:10]([OH:12])[CH:9]=[N:8]2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[Br:13]Br>C(Cl)(Cl)Cl>[C:1]1([N:7]2[N:11]=[C:10]([OH:12])[C:9]([Br:13])=[N:8]2)[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1 | 1 |
[CH2:1]([O:3][C:4]([C:6]1[C:14]2[C:9](=[C:10]([Br:16])[CH:11]=[C:12]([Br:15])[CH:13]=2)[N:8]([CH3:17])[C:7]=1[CH2:18]Br)=[O:5])[CH3:2].[CH2:20]([O:22][C:23](=[O:33])[CH2:24][NH:25][C:26]([O:28][C:29]([CH3:32])([CH3:31])[CH3:30])=[O:27])[CH3:21]>>[CH2:1]([O:3][C:4]([C:6]1[C:14]2[C:9](=[C:10]([Br:16])[CH:11]=[C:12]([Br:1... | 1 |
ClC1=NC=C(C=C1[N+](=O)[O-])C.N1CCC(CC1)CCN1CCCCC1>>CC=1C=C(C(=NC1)N1CCC(CC1)CCN1CCCCC1)N | 5 |
BrC1=NC=CC=C1.O[C@H]1[C@@H](CCCC1)OC=1C=CC=C2CN(C(C12)=O)CC1CCNCC1>>O[C@H]1[C@@H](CCCC1)OC=1C=CC=C2CN(C(C12)=O)CC1CCN(CC1)C1=NC=CC=C1 | 5 |
O=C1N(C(C2=CC=CC=C12)=O)[C@H]1C[C@]2([C@H](OCC2)C1)C(=O)NCC1=C(C=CC(=C1)C(F)(F)F)O>C1(=CC=CC=C1)C.C=O.O.C1(=CC=C(C=C1)S(=O)(=O)O)C>FC(C=1C=CC2=C(CN(CO2)C(=O)[C@]23[C@H](OCC2)C[C@H](C3)N3C(C2=CC=CC=C2C3=O)=O)C1)(F)F | 3 |
[CH2:1]([O:3][C:4]([C:6]1[CH2:10][C:9]([O-:11])=[C:8](C(OC)=O)[C:7]=1[CH2:16][CH3:17])=[O:5])[CH3:2].[Na+].[Cl-].[K+].CC(O)=O.C([O-])(O)=O.[Na+]>O.C1(C)C=CC=CC=1>[CH2:16]([C:7]1[CH:6]([C:4]([O:3][CH2:1][CH3:2])=[O:5])[CH2:10][C:9](=[O:11])[CH:8]=1)[CH3:17] | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[N:9]=[C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][N:11]2[C:16]=1[C:17](=[N:26][NH2:27])[NH:18][C:19]1[CH:24]=[CH:23][C:22]([Cl:25])=[CH:21][CH:20]=1.[N:28]([O-])=O.[Na+].C(=O)(O)[O-].[Na+]>C(O)(=O)C.O>[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[N:9]=[C:10]2[CH:15]=[C... | 2 |
C(C)OC(CC(C=CCCCCCNC(=O)OC(C)(C)C)C=1C=NC(=NC1)C)=O>>C(C)OC(CC(CCCCCCCNC(=O)OC(C)(C)C)C=1C=NC(=NC1)C)=O | 5 |
[CH3:1][O:2][C:3]1[N:8]=[C:7]2[CH2:9][CH2:10][CH2:11][C:6]2=[CH:5][C:4]=1[NH:12][C:13](=[O:21])OC1C=CC=CC=1.[CH3:22][O:23][C:24]1[CH:25]=[C:26]([N:32]2[CH2:37][CH2:36][NH:35][CH2:34][CH2:33]2)[CH:27]=[C:28]([O:30][CH3:31])[CH:29]=1>>[CH3:1][O:2][C:3]1[N:8]=[C:7]2[CH2:9][CH2:10][CH2:11][C:6]2=[CH:5][C:4]=1[NH:12][C:13](... | 1 |
F[C@@H]1[C@@H](C1)C(=O)N.ClC1=CC=C2C(=N1)N(C=C2C=2C(=CC=1N(C2)C=CN1)OC)COCC[Si](C)(C)C>O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C3CCCCC3)C4CCCCC4)OC)OC)C(C)C.CS(=O)(=O)O[Pd]c1ccccc1-c2ccccc2N.COc3ccc(OC)c(c3P(C4CCCCC4)C5CCCCC5)-c6c(cc(cc6C(C)C)C(C)C)C(C)C>F[C@@H]1[C@@H](C1)C(=O)NC1=... | 3 |
C1(=O)N(CS(Cl)(=O)=O)C(=O)C2=CC=CC=C12.C1(=O)N(CCS(Cl)(=O)=O)C(=O)C2=CC=CC=C12.C(NS(CN1C(=O)C2=CC=CC=C2C1=O)(=O)=O)(C)(C)C.C([NH:58][S:59]([CH2:62][N:63]1[C:67]([SH:68])=[N:66][N:65]=[N:64]1)(=[O:61])=[O:60])(C)(C)C.FC(F)(F)C(O)=O>>[S:59]([CH2:62][N:63]1[C:67]([SH:68])=[N:66][N:65]=[N:64]1)(=[O:61])(=[O:60])[NH2:58] | 1 |
BrCC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NOC(=N1)C(Cl)(Cl)Cl.C(CCC)N1C(NC2=C(C1=O)C=C(S2)CC)=O>N(C)(C)C=O.[H-].[Na+]>C(CCC)N1C(N(C2=C(C1=O)C=C(S2)CC)CC2=CC=C(C=C2)C2=C(C=CC=C2)C2=NOC(N2)=O)=O | 3 |
C1(CC1)C1=C(C(=NO1)C1=C(C=CC=C1)OC(F)(F)F)CO[C@@H]1[C@@H]2C\C(\[C@H](C1)C2)=N/O>CO[H].Cl[Ti](Cl)Cl.C(#N)[BH3-].[Na+].C(C)(=O)[O-].[NH4+]>C1(CC1)C1=C(C(=NO1)C1=C(C=CC=C1)OC(F)(F)F)CO[C@@H]1[C@@H]2CC([C@H](C1)C2)N | 3 |
CC1=CC(=NC(=C1)C(F)(F)F)N>CC#N.O.BrN1C(CCC1=O)=O>BrC=1C(=NC(=C(C1C)Br)C(F)(F)F)N | 3 |
C1(=CC=CC=C1)C(N1CCNCC1)C1=CC=CC=C1.ClC1=C2C(=NC=N1)N(N=C2)C2=CC=CC=C2>>C(C1=CC=CC=C1)(C1=CC=CC=C1)N1CCN(CC1)C1=C2C(=NC=N1)N(N=C2)C2=CC=CC=C2 | 5 |
[N:1]1([CH2:7][CH2:8][CH2:9][O:10][C:11]2[CH:16]=[CH:15][C:14]([N:17]3[CH2:22][CH2:21][NH:20][CH2:19][CH2:18]3)=[CH:13][CH:12]=2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[C:23](Cl)(Cl)=[O:24].C1(C)C=CC=CC=1.C(N(CC)CC)C.[CH:41]1([NH2:44])[CH2:43][CH2:42]1>ClCCl>[CH:41]1([NH:44][C:23]([N:20]2[CH2:19][CH2:18][N:17]([C:14]3[CH... | 1 |
[Cl:1][C:2]1[CH:26]=[CH:25][C:24](I)=[CH:23][C:3]=1[N:4]([CH2:14][C:15]1[CH:20]=[CH:19][C:18]([O:21][CH3:22])=[CH:17][CH:16]=1)[CH2:5][C:6]1[CH:11]=[CH:10][C:9]([O:12][CH3:13])=[CH:8][CH:7]=1.C([Mg]Cl)(C)C.CON(C)[C:36]([C:38]1([CH3:41])[CH2:40][CH2:39]1)=[O:37]>C1COCC1.C(OCC)C>[CH3:13][O:12][C:9]1[CH:10]=[CH:11][C:6]([... | 1 |
CI.[Si](C)(C)(C(C)(C)C)OCC[C@H]1[C@H](C1)C1CCN(CC1)C1=CC=C(C=N1)CO>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Na+]>[Si](C)(C)(C(C)(C)C)OCC[C@H]1[C@H](C1)C1CCN(CC1)C1=NC=C(C=C1)COC | 3 |
[C:1]([C:3]1[CH:4]=[C:5]([CH:10]=[C:11]([CH2:13][O:14][CH3:15])[CH:12]=1)[C:6]([O:8]C)=[O:7])#[N:2].[OH-].[Li+]>O1CCCC1>[C:1]([C:3]1[CH:4]=[C:5]([CH:10]=[C:11]([CH2:13][O:14][CH3:15])[CH:12]=1)[C:6]([OH:8])=[O:7])#[N:2] | 1 |
Cl.FC1(CNC1)F.ClC1=CC(=NC=N1)N1NC=C(C1=O)C=1C=NC=CC1>>Cl.FC1(CN(C1)C1=CC(=NC=N1)N1NC=C(C1=O)C=1C=NC=CC1)F | 5 |
[OH-].[Na+].[Br:3][C:4]1[CH:5]=[C:6]2[C:10](=[C:11]([C:13]([O:15]C)=[O:14])[CH:12]=1)[N:9](C(OC(C)(C)C)=O)[CH:8]=[C:7]2[CH:24]1[CH2:29][CH2:28][S:27](=[O:31])(=[O:30])[CH2:26][CH2:25]1>CO.O>[Br:3][C:4]1[CH:5]=[C:6]2[C:10](=[C:11]([C:13]([OH:15])=[O:14])[CH:12]=1)[NH:9][CH:8]=[C:7]2[CH:24]1[CH2:25][CH2:26][S:27](=[O:30]... | 2 |
C(OCCO)C.[S-2].[Na+].[Na+].[Na].[CH3:11][O:12][C:13]1[CH:21]=[CH:20][C:19]([O:22][CH3:23])=[C:18]2[C:14]=1[CH:15](S)[NH:16][C:17]2=[NH:24].C1(S([O-])(=O)=O)C=CC=CC=1.[NH:36]=[C:37]1[NH2+:41][C:40](=[NH:42])[CH2:39][S:38]1>>[CH3:11][O:12][C:13]1[CH:21]=[CH:20][C:19]([O:22][CH3:23])=[C:18]2[C:14]=1[C:15](=[C:39]1[S:38][C... | 1 |
C(C)C(C=O)CC>N>C(C)C(CC)=CN=CC(CC)CC | 3 |
[Cl:1][C:2]1[C:7]([NH2:8])=[CH:6][CH:5]=[CH:4][N:3]=1.[CH:9](NC(C)C)(C)C.[Li].IC.[NH4+].[Cl-]>C1COCC1>[Cl:1][C:2]1[C:7]([NH:8][CH3:9])=[CH:6][CH:5]=[CH:4][N:3]=1 | 1 |
[C:1]([N:4]1[CH2:9][C@@H:8]([N:10]=[N+]=[N-])[CH2:7][CH2:6][C@@H:5]1[CH2:13][CH2:14][C:15]1[C:16]([Cl:27])=[CH:17][N:18]=[C:19]2[C:24]=1[N:23]=[C:22]([O:25][CH3:26])[CH:21]=[CH:20]2)(=[O:3])[CH3:2].N[C@@H]1CN(C(OC(C)(C)C)=O)[C@@H](CCC2C3C(=CC=C(OC)N=3)N=CC=2F)CC1.FC1C=NC2C(C=1CC[C@H]1CC[C@H](N[CH2:77][C:78]3[CH:79]=[CH... | 2 |
OOS([O-])=O.[K+].[Na+].[Br-:8].CC(C)=O.[CH3:13][O:14][C:15]1[CH:20]=[CH:19][C:18]([C:21](=[O:23])[CH3:22])=[C:17]([CH3:24])[CH:16]=1>C(OCC)(=O)C.O>[Br:8][C:20]1[C:15]([O:14][CH3:13])=[CH:16][C:17]([CH3:24])=[C:18]([C:21](=[O:23])[CH3:22])[CH:19]=1 | 1 |
O=C1NC(CCC1N1C(C2=CC=C(C=C2C1=O)N1CC(CC1)CO)=O)=O>N(C)(C)C=O.ClCCl>O=C1NC(CCC1N1C(C2=CC=C(C=C2C1=O)N1CC(CC1)C=O)=O)=O | 3 |
CNCCCO.CC=1C=C(C=CC1OC=1C=NC(=CC1)C)NC1=NC=NC2=CC=CC(=C12)O[C@@H](C(=O)O)C>>OCCCN(C([C@@H](C)OC1=C2C(=NC=NC2=CC=C1)NC1=CC(=C(C=C1)OC=1C=NC(=CC1)C)C)=O)C | 3 |
[Br:1][C:2]1[CH:3]=[C:4]2[NH:10][CH:9]=[N:8][C:5]2=[N:6][CH:7]=1.[H-].[Na+].Cl[CH2:14][O:15][CH2:16][CH2:17][Si:18]([CH3:21])([CH3:20])[CH3:19].[Cl-].[NH4+]>CN(C)C=O>[Br:1][C:2]1[CH:3]=[C:4]2[N:10]([CH2:14][O:15][CH2:16][CH2:17][Si:18]([CH3:21])([CH3:20])[CH3:19])[CH:9]=[N:8][C:5]2=[N:6][CH:7]=1 | 2 |
FC=1C=C(C=CC1)NC1=C(C=C(C(=O)O)C=C1)[N+](=O)[O-]>C1CCCO1.[HH].[Pd]>NC=1C=C(C(=O)O)C=CC1NC1=CC(=CC=C1)F | 3 |
C([O-])([O-])=O.[K+].[K+].[CH3:7][O:8][C:9]1[N:10]=[C:11]2[C:16](=[CH:17][CH:18]=1)[N:15]=[CH:14][CH:13]=[C:12]2[OH:19].Br[CH2:21][C:22]([O:24]CC)=[O:23].[OH-].[Na+]>CS(C)=O>[CH3:7][O:8][C:9]1[N:10]=[C:11]2[C:16](=[CH:17][CH:18]=1)[N:15]=[CH:14][CH:13]=[C:12]2[O:19][CH2:21][C:22]([OH:24])=[O:23] | 1 |
CN(C)[CH:3]=[C:4]([N+:10]([O-:12])=[O:11])[C:5](OCC)=[O:6].[CH2:14]([O:21][CH2:22][C:23](=[NH:25])[NH2:24])[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1.O(C)[Na].Cl>CO>[CH2:14]([O:21][CH2:22][C:23]1[N:24]=[C:5]([OH:6])[C:4]([N+:10]([O-:12])=[O:11])=[CH:3][N:25]=1)[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1 | 1 |
[H-].[Na+].[C:3]([O:7][CH3:8])(=[O:6])[CH2:4][OH:5].CS(O[CH2:14][CH:15]1[CH2:20][CH2:19][N:18]([C:21]2[CH:22]=[CH:23][C:24]3[N:25]([C:27]([C:30]([F:33])([F:32])[F:31])=[N:28][N:29]=3)[N:26]=2)[CH2:17][CH2:16]1)(=O)=O>>[F:33][C:30]([F:31])([F:32])[C:27]1[N:25]2[N:26]=[C:21]([N:18]3[CH2:17][CH2:16][CH:15]([CH2:14][O:5][C... | 1 |
ClC=1C=C(C=CC1)C=1C(=CC=C(C1)OCC1=CC=CC=C1)C(=O)OC>>ClC=1C=C(C=CC1)C=1C(=CC=C(C1)OCC1=CC=CC=C1)C(=O)O | 5 |
CN=C=S.NC1=C(N(C(=C1C#N)N1C[C@@H](CCC1)NC(=O)OC(C)(C)C)CC1=C(C=CC(=C1)F)Cl)C(=O)OCC>C1(=CC=CC=C1)C.c1ccncc1.C([O-])([O-])=O.[K+].[K+]>ClC1=C(CN2C(=C(C=3NC(N(C(C32)=O)C)=S)C#N)N3C[C@@H](CCC3)NC(OC(C)(C)C)=O)C=C(C=C1)F | 3 |
[C]=O.FC1=CC=C(C(C2=CC=C(C=C2)F)O)C=C1>S(O)(O)(=O)=O.C(=O)O>FC1=CC=C(C=C1)C(C(=O)O)C1=CC=C(C=C1)F | 3 |
[C:1](OC(=O)C)(=[O:3])[CH3:2].[NH2:8][C:9]1[N:14]=[C:13]([N:15]2[CH2:20][CH2:19][NH:18][CH2:17][CH2:16]2)[C:12]([O:21][C:22]2[CH:27]=[CH:26][C:25]([Cl:28])=[CH:24][CH:23]=2)=[CH:11][N:10]=1.C(N(CC)CC)C.ClCCl>O1CCCC1>[C:1]([N:18]1[CH2:17][CH2:16][N:15]([C:13]2[C:12]([O:21][C:22]3[CH:23]=[CH:24][C:25]([Cl:28])=[CH:26][CH... | 1 |
O1C=C(C=C1)C=O.COC=1C=C(C=CC1OC)[C@@H](CCCNS(=O)(=O)C=1SC=CC1)N1C(C2=CC=CC(=C2C1=O)N1CCNCC1)=O>>COC=1C=C(C=CC1OC)[C@@H](CCCNS(=O)(=O)C=1SC=CC1)N1C(C2=CC=CC(=C2C1=O)N1CCN(CC1)CC1=COC=C1)=O | 5 |
Br[C:2]1[CH:3]=[CH:4][CH:5]=[C:6]2[C:11]=1[N:10]=[CH:9][CH:8]=[CH:7]2.[NH2:12][C:13]1[CH:27]=[CH:26][C:16]([C:17]([C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][C:20]=2[CH3:25])=[O:18])=[C:15]([Cl:28])[CH:14]=1.C(O[Na])(C)(C)C>O1CCOCC1>[Cl:28][C:15]1[CH:14]=[C:13]([NH:12][C:2]2[CH:3]=[CH:4][CH:5]=[C:6]3[C:11]=2[N:10]=[CH:9][CH:... | 2 |
Br[C:2]1[CH:3]=[C:4]([CH:9]2[O:13][CH2:12][CH2:11][O:10]2)[CH:5]=[C:6]([Cl:8])[CH:7]=1.C([Li])(C)(C)C.CCCCC.[CH3:24][C:25]([CH3:27])=[O:26]>C(OCC)C>[Cl:8][C:6]1[CH:7]=[C:2]([C:25]([OH:26])([CH3:27])[CH3:24])[CH:3]=[C:4]([CH:9]2[O:13][CH2:12][CH2:11][O:10]2)[CH:5]=1 | 1 |
[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](=[CH:14]/[C:15]1[CH:16]=[N:17][CH:18]=[CH:19][C:20]=1[O:21]C)/[C:12]#[N:13].[Li+].[Cl-].C1(C)C=CC(S(O)(=O)=O)=CC=1>CN1C(=O)CCC1>[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](=[CH:14]/[C:15]1[CH:16]=[N:17][CH:18]=[CH:... | 2 |
[N+](=O)([O-])C(CO)(CO)C>C1(=CC=CC=C1)C.CN(C(C)=O)C>CC(=O)N(C)C.CC(CO)(CO)[N+](=O)[O-] | 3 |
ClC1=NC=C(C=N1)C(F)(F)F.Cl.C(C)C1=C(C(=CC=C1)CC)N1N=C2C(CNCC2)=C1C1=C2C=CNC2=C(C=C1F)CO>CC#N.CCN(CC)CC.C(C)(=O)OCC>C(C)C1=C(C(=CC=C1)CC)N1N=C2C(CN(CC2)C2=NC=C(C=N2)C(F)(F)F)=C1C1=C2C=CNC2=C(C=C1F)CO | 3 |
C[O:2][C:3](=[O:14])[CH2:4][C:5]1[CH:13]=[CH:12][CH:11]=[CH:10][C:6]=1[C:7]([OH:9])=O.[CH2:15]([N:17]([CH2:20][CH3:21])[CH2:18][CH3:19])[CH3:16].F[P-](F)(F)(F)(F)F.CN(C(=[N+](C)C)ON1[C:38]2=[N:39][CH:40]=[CH:41][CH:42]=[C:37]2N=N1)C.[Li+].[OH-].[CH2:48]1[CH2:52][O:51][CH2:50][CH2:49]1>CCOC(C)=O.CO.CCN(CC)CC.C(O)(=O)C.O... | 2 |
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([OH:8])=[C:4]([Cl:9])[CH:3]=1.[N:10]([O-])=O.[Na+].[Sn](Cl)Cl>O.Cl>[ClH:9].[Cl:9][C:4]1[CH:3]=[C:2]([NH:1][NH2:10])[CH:7]=[CH:6][C:5]=1[OH:8] | 2 |
C(CCC)OCCOC1=CC=C(C=C1)C=1C=CC2=C(C=C(CCN2CC(C)C)C(=O)NC2=CC=C(C=C2)SCC2=C(N=CN2CCC)C)C1>>C(CCC)OCCOC1=CC=C(C=C1)C=1C=CC2=C(C=C(CCN2CC(C)C)C(=O)NC2=CC=C(C=C2)S(=O)CC2=C(N=CN2CCC)C)C1 | 5 |
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.N1CCC2(CC1)CC(C1=CC=CC=C12)CC(=O)O.COC=1C=C(CNC(=O)C23CC4C(C(CC(C2)C4)C3)O)C=C(C1)OC>ClCCl.CCN(CC)CC>COC=1C=C(CNC(=O)C23CC4C(C(CC(C2)C4)C3)OC(=O)N3CCC4(CC3)CC(C3=CC=CC=C34)CC(=O)O)C=C(C1)OC | 3 |
S(=O)(=O)([O-])[O-].CSC(=[NH2+])N.CSC(=[NH2+])N.NCCCC1=NNC=C1>CO[H].CCO[H]>S(=O)(=O)(O)O.N1N=C(C=C1)CCCNC(=N)N.N1N=C(C=C1)CCCNC(=N)N | 3 |
ClC1=CC(=C(O[C@H]([C@@H]2CNCCO2)C2=CC=CC=C2)C=C1)OC>CO[H].Br>Br.ClC1=CC(=C(O[C@H]([C@@H]2CNCCO2)C2=CC=CC=C2)C=C1)OC | 3 |
BrC1=C(C=NN(C1=O)CCCC(=O)OCC)N[C@H]1[C@@H]([C@@H]2C([C@H](C1)C2)(C)C)C>>BrC1=C(C=NN(C1=O)CCCC(=O)O)N[C@H]1[C@@H]([C@@H]2C([C@H](C1)C2)(C)C)C | 5 |
P(Cl)(Cl)(Cl)=O.[CH2:6]([N:13]1[C:17]([CH3:18])=[C:16]([C:19](=O)[CH3:20])[CH:15]=[N:14]1)[C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1.[ClH:22].NO.[OH-].[Na+].C[N:28]([CH3:31])C=O>>[CH2:6]([N:13]1[C:17]([CH3:18])=[C:16](/[C:19](/[Cl:22])=[CH:20]/[C:31]#[N:28])[CH:15]=[N:14]1)[C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1 | 1 |
Br[C:2]1[CH:7]=[CH:6][C:5]([C:8]2[O:12][N:11]=[C:10]([CH3:13])[C:9]=2[NH:14][C:15](=[O:21])[N:16]([CH:18]([CH3:20])[CH3:19])[CH3:17])=[CH:4][CH:3]=1.[CH2:22]([O:24][C:25]([C:27]1([C:30]2[CH:35]=[CH:34][C:33](B3OC(C)(C)C(C)(C)O3)=[CH:32][CH:31]=2)[CH2:29][CH2:28]1)=[O:26])[CH3:23]>>[CH2:22]([O:24][C:25]([C:27]1([C:30]2[... | 1 |
COC(=O)C1=CC=C(C=C1)B(O)O.C(C1=CC=CC=C1)N(C1=CC=C(C=C1)Br)CC1CCN(CC1)CC1(CCC1)C(F)(F)F>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(C1=CC=CC=C1)N(C1=CC=C(C=C1)C1=CC=C(C=C1)C(=O)OC)CC1CCN(CC1)CC1(CCC1)C(F)(F)F | 3 |
FC1=C(C=CC=C1F)[N+](=O)[O-].N1=CC(=CC=C1)[C@H](C)N>CC#N.CCN(CC)CC>FC1=C(N[C@@H](C)C=2C=NC=CC2)C(=CC=C1)[N+](=O)[O-] | 3 |
S.N(N)C1=NC=CC=C1>C(Cl)(Cl)(Cl)[H]>N=1N=C(N2C1C=CC=C2)S | 3 |
C[Sn](C)(C)Cl.S1C2=C(C=C1)SC=C2>>C[Sn](C1=CC2=C(S1)C=C(S2)[Sn](C)(C)C)(C)C | 5 |
O[C:2]1[C:15]2[C:14](=[O:16])[C:13]3[C:8](=[C:9]([OH:18])[CH:10]=[CH:11][C:12]=3[OH:17])[C:7](=[O:19])[C:6]=2[C:5]([OH:20])=[CH:4][CH:3]=1.[NH2:21][CH2:22][CH2:23][NH:24][CH2:25][CH2:26][OH:27].CN(C)CCN(C)C>>[OH:27][CH2:26][CH2:25][NH:24][CH2:23][CH2:22][NH:21][C:2]1[C:15]2[C:14](=[O:16])[C:13]3[C:8](=[C:9]([OH:18])[CH... | 1 |
Br[C:2]1[CH:9]=[CH:8][C:5]([C:6]#[N:7])=[CH:4][N:3]=1.[CH2:10]([O:12][C:13]([Sn](CCCC)(CCCC)CCCC)=[CH2:14])[CH3:11].[F-].[K+]>C(#N)C.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>[CH2:13]([O:12][C:10]([C:2]1[CH:9]=[CH:8][C:5]([C:6]#[N:7])=[CH:4][N:3]=1)=[CH2:11])[CH3:14] | 1 |
Cl.BrC1=C(C=C(N)C=C1)C(F)(F)F>C1(=CC=CC=C1)C.ClC(=O)OC(Cl)(Cl)Cl>BrC1=C(C=C(C=C1)N=C=O)C(F)(F)F | 3 |
FC1=CC=C(C(=O)C2=CC3=CC=CC=C3C=C2C(=O)O)C=C1>[Al](Cl)(Cl)Cl>FC1=CC=2C(C3=CC4=CC=CC=C4C=C3C(C2C=C1)=O)=O | 3 |
C[O:2][C:3](=O)[C:4]1[CH:9]=[CH:8][C:7]([CH2:10][CH:11]([CH3:13])[CH3:12])=[CH:6][C:5]=1[C:14]([F:17])([F:16])[F:15].[BH4-].[Li+].Cl>C1COCC1>[CH2:10]([C:7]1[CH:8]=[CH:9][C:4]([CH2:3][OH:2])=[C:5]([C:14]([F:15])([F:16])[F:17])[CH:6]=1)[CH:11]([CH3:13])[CH3:12] | 2 |
[NH2:1][C:2]1[C:11]2[N:12]=[CH:13][N:14]([CH2:15][CH2:16][OH:17])[C:10]=2[C:9]2[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=2[N:3]=1.[C:18]1(O)[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.N(C(OCC)=O)=NC(OCC)=O>CN(C)C=O>[O:17]([CH2:16][CH2:15][N:14]1[C:10]2[C:9]3[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=3[N:3... | 1 |
ClC=1C=C(C=CC1)C(=CC)O[Si](C)(C)C(C)(C)C>>ClC=1C=C(C=CC1)C([C@@H](C)O)=O | 5 |
FC=1C=C(CBr)C=CC1.O1C(OCC1)C=1OC=CC1>C1CCCO1.C(CCC)[Li]>FC=1C=C(CC2=CC=C(O2)C2OCCO2)C=CC1 | 3 |
C1(S([N:10]2[C:18]3[C:13](=[CH:14][C:15]([C:19]4[CH:24]=[C:23]([C:25]5[O:26][CH:27]=[CH:28][N:29]=5)[CH:22]=[CH:21][C:20]=4[CH3:30])=[CH:16][CH:17]=3)[CH:12]=[C:11]2[C:31]2[C:36]([F:37])=[CH:35][CH:34]=[CH:33][C:32]=2[F:38])(=O)=O)C=CC=CC=1.C([O-])([O-])=O.[Cs+].[Cs+]>C1COCC1.CO>[F:37][C:36]1[CH:35]=[CH:34][CH:33]=[C:3... | 2 |
[CH2:1]([CH:8]([CH:13]=O)[C:9]([O:11]C)=O)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH2:15]([O:22][CH2:23][CH2:24][CH2:25][N:26]([CH:38]1[CH2:42][CH2:41][CH2:40][CH2:39]1)[S:27]([C:30]1[CH:31]=[N:32][C:33]([NH:36][NH2:37])=[CH:34][CH:35]=1)(=[O:29])=[O:28])[C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1>>[CH2:1]([C:8]1[... | 1 |
CC([O-])(C)C.[K+].CC(O)(C)C.[CH2:12]([O:14][C:15]1[CH:16]=[C:17]([C:23](=[O:29])[CH2:24][S:25]([CH3:28])(=[O:27])=[O:26])[CH:18]=[CH:19][C:20]=1[O:21][CH3:22])[CH3:13].[H][H]>CC(O)C>[CH2:12]([O:14][C:15]1[CH:16]=[C:17]([C@@H:23]([OH:29])[CH2:24][S:25]([CH3:28])(=[O:27])=[O:26])[CH:18]=[CH:19][C:20]=1[O:21][CH3:22])[CH3... | 2 |
N(C(=O)C)C1=CC=C(C=C1)C=1N(C=C(C(=O)O)C(C1)=O)C1=CC=C(C=C1)F>CO[H].[OH-].[Na+].C(C)(=O)O>NC1=CC=C(C=C1)C=1N(C=C(C(=O)O)C(C1)=O)C1=CC=C(C=C1)F | 3 |
CN(CCC#CC(CC)(O)CC)CC1=CC=CC2=CC=CC=C12>ClCCl.CCN(CC)CC.CS(=O)(=O)Cl>CN(CCC#CC(=CC)CC)CC1=CC=CC2=CC=CC=C12 | 3 |
[C:1]1([C@H:7]([NH2:9])[CH3:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[CH3:10][O:11][C:12](=[O:17])[CH2:13][C:14](=O)[CH3:15].[CH3:18][O:19][C:20](=[O:23])[C:21]#[CH:22]>CO>[CH3:18][O:19][C:20](=[O:23])[CH:21]=[CH:22][C:13](=[C:14]([NH:9][C@@H:7]([C:1]1[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1)[CH3:8])[CH3:15])[C:12]([O:11][CH3:1... | 1 |
O1CCC(CC1)C(C)=O.BrC1=CC(=C(C=C1)Cl)OCCCOC>C1CCCO1.[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.C1(=CC=CC=C1)P(C1=CC=CC=2C(C3=CC=CC(=C3OC12)P(C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C1=CC=CC=C1.CC(C)(C)[O-].[Na+]>ClC1=C(C=C(C=C1)CC(=O)C1CCOCC1)OCCCOC | 3 |
ClC1=C(C=CC=C1)B(O)O.C(C)OC(=O)C=1C=NNC1>>ClC1=C(C=CC=C1)N1N=CC(=C1)C(=O)OCC | 5 |
[CH:1]([CH:4]1[CH2:9][CH2:8][CH:7]([CH2:10][CH2:11][C:12]([OH:14])=O)[CH2:6][CH2:5]1)([CH3:3])[CH3:2]>[Fe]>[CH:1]([CH:4]1[CH2:5][CH2:6][CH:7]([CH2:10][CH2:11][C:12](=[O:14])[CH2:11][CH2:10][CH:7]2[CH2:6][CH2:5][CH:4]([CH:1]([CH3:2])[CH3:3])[CH2:9][CH2:8]2)[CH2:8][CH2:9]1)([CH3:3])[CH3:2] | 1 |
FC=1C=C(C(=C(C1)I)C=1C(=CC(=CC1I)F)C(=O)OC)C(=O)OC>N(C)(C)C=O.[Cu]>FC=1C=C(C=2C3=C(C=C(C=C3C2C1)F)C(=O)OC)C(=O)OC | 3 |
[N:1]([CH2:4][CH:5]1[CH2:13][CH:12]2[CH:8]([CH2:9][N:10]([C:14](=[O:24])[CH2:15][C:16]3[CH:21]=[CH:20][CH:19]=[CH:18][C:17]=3[O:22][CH3:23])[CH2:11]2)[C:7]([C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=2[O:32][CH3:33])([OH:25])[CH2:6]1)=[N+]=[N-]>[Pd].C(O)C>[NH2:1][CH2:4][CH:5]1[CH2:13][CH:12]2[CH:8]([CH2:9][N:10]([C:14]... | 1 |
ClC=1C=C(C=CC1)C1=CC(N(C2=CC=C(C=C12)C(C=1N(C=NC1)C)(N=CC1=CC=C(C=C1)OC)C=1C=NC(=CC1)Cl)CC1CC1)=O>O.C1CCCO1.S(O)(O)(=O)=O.N(=O)[O-].[Na+]>ClC=1C=C(C=CC1)C1=CC(N(C2=CC=C(C=C12)C(C=1N(C=NC1)C)(O)C=1C=NC(=CC1)Cl)CC1CC1)=O | 3 |
F[C:2]1[CH:7]=[CH:6][C:5]([N+:8]([O-:10])=[O:9])=[CH:4][C:3]=1[CH3:11].[C:12]1([OH:18])[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1.C([O-])([O-])=O.[Cs+].[Cs+]>CN(C=O)C.CCOC(C)=O>[CH3:11][C:3]1[CH:4]=[C:5]([N+:8]([O-:10])=[O:9])[CH:6]=[CH:7][C:2]=1[O:18][C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1 | 1 |
N[C@H](C(=O)OC)CC1OCCCC1>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>N[C@H](CO)CC1OCCCC1 | 3 |
COC(C(C)[C@H]1[C@@H](CC2=CC=CC=C12)NC(=O)OC(C)(C)C)=O>>Cl.COC(C(C)[C@H]1[C@@H](CC2=CC=CC=C12)N)=O | 5 |
Cl[C:2]1[CH:7]=[C:6]([CH2:8][N:9]2[CH:14]=[C:13]([C:15]3[O:19][N:18]=[C:17]([C:20]4[CH:25]=[CH:24][C:23]([C:26]([CH3:32])([CH3:31])[C:27]([F:30])([F:29])[F:28])=[CH:22][CH:21]=4)[N:16]=3)[CH:12]=[CH:11][C:10]2=[O:33])[CH:5]=[CH:4][N:3]=1.[C:34]([CH:36]1[CH2:41][CH2:40][NH:39][CH2:38][CH2:37]1)#[N:35]>>[O:33]=[C:10]1[CH... | 2 |
ClC1=CC(=C(C=C1OCC=1C(=C(C=CC1)C1=CC=CC=C1)C)C=1C=NC=C(C(=O)OC)C1)C=O>O.O1CCOCC1.O[Li].O>ClC1=CC(=C(C=C1OCC=1C(=C(C=CC1)C1=CC=CC=C1)C)C=1C=NC=C(C(=O)[O-])C1)C=O.[Li+] | 3 |
N12CCCN=C1CCCCC2.[F:12][C:13]([F:27])([F:26])[C:14]1[CH:19]=[CH:18][N:17]=[C:16]([C:20]2[NH:21][O:22][C:23](=[O:25])[N:24]=2)[CH:15]=1.[CH2:28]([N:31]([CH2:35][CH:36]=[CH2:37])[C:32](Cl)=[O:33])[CH:29]=[CH2:30]>N1C=CC=CC=1>[F:27][C:13]([F:12])([F:26])[C:14]1[CH:19]=[CH:18][N:17]=[C:16]([C:20]2[N:24]([C:32]([N:31]([CH2:... | 1 |
COC(=O)C1=NN(N=C1C1=CC=C(C=C1)F)C>>FC1=CC=C(C=C1)C=1C(=NN(N1)C)C(=O)O | 5 |
[N+](=O)([O-])C.C(C=C)C1CC=CC1=O>>C(C=C)C1C(CC(C1)C[N+](=O)[O-])=O | 3 |
Cl.N1=C(N=CC=C1)C1(CC1)N.C(C)OC1=CC2=C(C(=C(O2)C2=CC=C(C=C2)F)C(NC)=O)C=C1C=1C=NC(=C(C(=O)O)C1)OC>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>C(C)OC1=CC2=C(C(=C(O2)C2=CC=C(C=C2)F)C(NC)=O)C=C1C=1C=NC(=C(C(=O)NC2(CC2)C2=NC=CC=N2)C1)OC | 3 |
[CH2:1](Br)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[C:9]([C:12]1[CH:13]=[CH:14][C:15]([OH:21])=[C:16]([CH:20]=1)[C:17]([OH:19])=[O:18])(=[O:11])[CH3:10].C(=O)([O-])[O-].[K+].[K+]>CN(C=O)C.O>[C:9]([C:12]1[CH:13]=[CH:14][C:15]([O:21][CH2:1][C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=2)=[C:16]([CH:20]=1)[C:17]([O:19][CH2:1][C... | 2 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.BrC=1C=C(C=CC1)C12N=C(SCC1COCC2)N>>BrC=1C=C(C=CC1)C12N=C(SCC1COCC2)NC(OC(C)(C)C)=O | 5 |
CC1=CC=C(C=C1)S(=O)(=O)OCCCOS(=O)(=O)C2=CC=C(C=C2)C.OC1=CC=C(C=C1)C1C(CN(CC1)C(=O)OCC1=CC=CC=C1)OCC=1C=CC2=C(N(CCO2)CCCOC)C1>>COCCCN1CCOC2=C1C=C(C=C2)COC2CN(CCC2C2=CC=C(C=C2)OCCCOS(=O)(=O)C2=CC=C(C=C2)C)C(=O)OCC2=CC=CC=C2 | 3 |
[S:1]1[CH:5]=[CH:4][CH:3]=[CH:2]1.[Li]CCCC.[OH:11][C:12]1[CH:17]=[CH:16][C:15]([C:18](=O)[CH3:19])=[CH:14][CH:13]=1.CC1C=CC(S(O)(=O)=O)=CC=1>C1COCC1.C1C=CC=CC=1>[S:1]1[CH:5]=[CH:4][CH:3]=[C:2]1[C:18]([C:15]1[CH:16]=[CH:17][C:12]([OH:11])=[CH:13][CH:14]=1)=[CH2:19] | 1 |
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