smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
COC1=C(C=C2C3C(C(=O)OC3=O)=CC=C2)C=CC=C1>CCN(CC)CC.CCO[H].[Al].[Ni]>COC1=C(CCC2=C(C(=O)O)C=CC=C2)C=CC=C1 | 3 |
[Cl:1][C:2]1[CH:7]=[C:6]([C:8]2[N:12]=[C:11]([C:13]3[N:14]=[C:15]4[C:20]([Cl:21])=[CH:19][C:18]([C:22]([F:25])([F:24])[F:23])=[CH:17][N:16]4[CH:26]=3)[O:10][N:9]=2)[C:5]([Cl:27])=[CH:4][C:3]=1[OH:28].[OH-].[Na+].[C:31](OCCBr)(=[O:33])[CH3:32]>CCO.CCOC(C)=O>[Cl:1][C:2]1[CH:7]=[C:6]([C:8]2[N:12]=[C:11]([C:13]3[N:14]=[C:1... | 2 |
C(#N)[C@@]1(COCC2=CC=C(C=C12)C(=O)O)C.C1(=CC=CC=C1)N1CC(C1)C1=CC(=NC=C1)CN>ClCCl.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>C(#N)[C@@]1(COCC2=CC=C(C=C12)C(=O)NCC1=NC=CC(=C1)C1CN(C1)C1=CC=CC=C1)C | 3 |
BrC1=CC=C(C=N1)O>ClCCl.CCN(CC)CC.C1(=CC=C(C=C1)S(=O)(=O)Cl)C>BrC1=CC=C(C=N1)OS(=O)(=O)C1=CC=C(C)C=C1 | 3 |
NC1=C(C=C(C=C1)C1=CC(=CC=C1)[N+](=O)[O-])O>>[N+](=O)([O-])C=1C=C(C=CC1)C1=CC2=C(NC(O2)=O)C=C1 | 5 |
C1(CCC1)CB1OC(C(O1)(C)C)(C)C>O.C(C)OCC.CC(=O)C.F[H-]F.[K+]>[K+].C1(CCC1)C[B-](F)(F)F | 3 |
[N+:1]([C:4]1[CH:5]=[C:6]([CH:26]=[CH:27][CH:28]=1)[C:7]([C:9]1[C:17]2[C:12](=[CH:13][CH:14]=[CH:15][CH:16]=2)[N:11]([CH2:18][CH2:19][CH2:20][C:21]([O:23][CH2:24][CH3:25])=[O:22])[CH:10]=1)=O)([O-:3])=[O:2].[BH4-].[Na+].B(F)(F)F.CCOCC.C(OCC)(=O)C>O1CCCC1>[N+:1]([C:4]1[CH:5]=[C:6]([CH:26]=[CH:27][CH:28]=1)[CH2:7][C:9]1[... | 1 |
Cl[C:2]1[N:11]=[C:10](N)[C:9]2[C:4](=[CH:5][CH:6]=[C:7]([O:13][C:14]3[CH:19]=[CH:18][C:17]([F:20])=[CH:16][C:15]=3[F:21])[CH:8]=2)[N:3]=1.[NH2:22][C:23]([CH2:28][CH3:29])([CH2:26][OH:27])[CH2:24][OH:25].O>CN1C(=O)CCC1>[F:21][C:15]1[CH:16]=[C:17]([F:20])[CH:18]=[CH:19][C:14]=1[O:13][C:7]1[CH:8]=[C:9]2[C:4](=[CH:5][CH:6]... | 1 |
NC1=C2C(=NC=N1)N(N=C2C(O)C2=CC=CC=C2)C2CC2>C(=O)(C(F)(F)F)O.C(C)[SiH](CC)CC>C(C1=CC=CC=C1)C1=NN(C2=NC=NC(=C21)N)C2CC2 | 3 |
[Cl:1][C:2]1[N:6]2[N:7]=[C:8](Cl)[CH:9]=[CH:10][C:5]2=[N:4][CH:3]=1.[NH2:12][CH2:13][C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][N:15]=1>>[Cl:1][C:2]1[N:6]2[N:7]=[C:8]([NH:12][CH2:13][C:14]3[CH:19]=[CH:18][CH:17]=[CH:16][N:15]=3)[CH:9]=[CH:10][C:5]2=[N:4][CH:3]=1 | 1 |
[OH-].[Na+].[ClH:3].[CH3:4][C:5]([S:11][C:12]1[CH:13]=[CH:14][C:15]2[O:24][CH2:23][C:22]3[CH:21]=[CH:20][S:19][C:18]=3[C:17](=[C:25]3[CH2:30][CH2:29][N:28]([CH3:31])[CH2:27][CH2:26]3)[C:16]=2[CH:32]=1)([CH3:10])[C:6]([O:8]C)=[O:7]>C(O)C>[ClH:3].[CH3:10][C:5]([S:11][C:12]1[CH:13]=[CH:14][C:15]2[O:24][CH2:23][C:22]3[CH:2... | 1 |
COC(C(C1=CC=C(C=C1)OCC1=CC=CC=C1)=O)=O>CO[H].[OH-].[Na+]>C1(=CC=CC=C1)COC1=CC=C(C=C1)C(C(=O)O)=O | 3 |
FC1=C(C=CC=C1)N1C[C@@H]2[C@H](C1)[C@H](CC2)NC([C@H](CC(C)C)N(C(OC(C)(C)C)=O)C)=O>>FC1=C(C=CC=C1)N1C[C@@H]2[C@H](C1)[C@H](CC2)NC([C@@H](NC)CC(C)C)=O | 5 |
O.C(C=O)(=O)O.C1(CC1)CN1C(C=2C=CC=C(C2CC1)N)C>CO[H].CCN(CC)CC.C(#N)[BH3-].[Na+]>C1(CC1)CN1C(C2=CC=CC(=C2CC1)NCC(=O)O)C | 3 |
[OH:1][CH:2]1[CH2:6][CH2:5][N:4]([C:7]([C:9]2[CH:14]=[C:13]([S:15]([CH3:18])(=[O:17])=[O:16])[CH:12]=[CH:11][C:10]=2[O:19][CH:20]([CH3:22])[CH3:21])=[O:8])[CH2:3]1.[CH3:23][S:24](Cl)(=[O:26])=[O:25]>>[CH:20]([O:19][C:10]1[CH:11]=[CH:12][C:13]([S:15]([CH3:18])(=[O:17])=[O:16])=[CH:14][C:9]=1[C:7]([N:4]1[CH2:5][CH2:6][CH... | 1 |
[NH2:1][C:2]1[N:7]=[C:6]([NH:8][C:9]2[CH:10]=[CH:11][C:12]([CH3:16])=[C:13]([OH:15])[CH:14]=2)[CH:5]=[CH:4][N:3]=1.C([O-])([O-])=O.[Cs+].[Cs+].Br[CH2:24][CH:25]=[C:26]([CH3:28])[CH3:27]>CC(C)=O>[CH3:16][C:12]1[CH:11]=[CH:10][C:9]([NH:8][C:6]2[CH:5]=[CH:4][N:3]=[C:2]([NH2:1])[N:7]=2)=[CH:14][C:13]=1[O:15][CH2:24][CH:25]... | 1 |
I[C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([N+:8]([O-:10])=[O:9])[CH:3]=1.[CH:11]([C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][N:14]=1)=[CH2:12].C(=O)(O)[O-].[Na+]>[Cl-].C([N+](CCCC)(CCCC)CCCC)CCC.CN(C)C=O.C([O-])(=O)C.[Pd+2].C([O-])(=O)C>[N+:8]([C:4]1[CH:3]=[C:2](/[CH:12]=[CH:11]/[C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][N:14]=2)[CH:7]=[C... | 1 |
S(=O)(=O)(OC)OC.OCC=1OC(=CC1)CO>N(C)(C)C=O.C1CCCO1.Cl.[H-].[Na+]>COCC1=CC=C(O1)CO | 3 |
ClCC(=O)CCl.FC(C=1C=C(C=CC1)NC(=S)N)(F)F>>ClCC=1N=C(SC1)NC1=CC(=CC=C1)C(F)(F)F | 5 |
NC1CN(CC1F)C(=O)OCC1=CC=CC=C1.ClC1=NC(=CC(=N1)N1CCOCC1)C>C1(=CC=CC=C1)C.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.CC(C)(C)[O-].[Na+].C1(=C(C=CC=C1)P(C(C)(C)C)C(C)(C)C)C1=CC=CC=C1>FC1CN(CC1NC1=NC(=CC(=N1)C)N1CCOCC1)C(=O)OCC1=CC=CC=C1 | 3 |
C(C)(C)(C)OC(=O)N1CC(CC1)=C>ClCCl.ClC=1C=C(C(=O)OO)C=CC1.C(O)([O-])=O.[Na+]>C(C)(C)(C)OC(=O)N1CC2(CO2)CC1 | 3 |
[N:1]1([C:13]([O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[O:14])[CH2:6][CH:5]=[C:4]([C:7]2[CH:12]=[CH:11][N:10]=[CH:9][CH:8]=2)[CH2:3][CH2:2]1.[H][H]>CO.[Pd]>[N:10]1[CH:11]=[CH:12][C:7]([CH:4]2[CH2:5][CH2:6][N:1]([C:13]([O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[O:14])[CH2:2][CH2:3]2)=[CH:8][CH:9]=1 | 1 |
NC1=CC(=C(OC=2C=C3C=NN(C3=CC2C=2C=NN(C2)C(=O)OC(C)(C)C)C)C=C1)F.C(C)C1=CC=C(C(N1C1=CC=C(C=C1)F)=O)C(=O)O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.Cl.C(C)N=C=NCCCN(C)C.n1nn(O)c2ccccc12>FC=1C=C(C=CC1OC=1C=C2C=NN(C2=CC1C=1C=NN(C1)C(=O)OC(C)(C)C)C)NC(=O)C=1C(N(C(=CC1)CC)C1=CC=C(C=C1)F)=O | 3 |
Cl.CON.ClC1=C(C(=O)N)C=CC(=C1)C1=NSC(C1)(C(F)(F)F)C1=CC(=CC(=C1)Cl)Cl>C(C)(=O)O.COC(N(C)C)OC>ClC1=C(C(=O)N/C=N/OC)C=CC(=C1)C1=NSC(C1)(C(F)(F)F)C1=CC(=CC(=C1)Cl)Cl | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[CH:5][CH:6]=[C:7]2[C:12]=1[C:11](=O)[CH2:10][CH2:9][CH2:8]2.[CH3:14][O:15][CH2:16][CH2:17][NH:18][CH2:19][CH2:20][O:21][CH3:22]>C1(C)C=CC=CC=1.C1(C)C=CC(S(O)(=O)=O)=CC=1>[CH3:1][O:2][C:3]1[CH:4]=[CH:5][CH:6]=[C:7]2[C:12]=1[CH2:11][CH:10]([N:18]([CH2:19][CH2:20][O:21][CH3:22])[CH2:17][CH2:16][O... | 1 |
C(C)(C)(C)OC(NCC=1SC=C(N1)C1=CNC2=NC=CC=C21)=O>>N1C=C(C=2C1=NC=CC2)C=2N=C(SC2)CN | 5 |
O=P(Cl)(Cl)Cl.[CH3:6][N:7]([CH3:15])[C:8]1[CH:9]=[C:10]([OH:14])[CH:11]=[CH:12][CH:13]=1.CN([CH:19]=[O:20])C>>[CH3:6][N:7]([CH3:15])[C:8]1[CH:13]=[CH:12][C:11]([CH:19]=[O:20])=[C:10]([OH:14])[CH:9]=1 | 2 |
[Si](C)(C)(C(C)(C)C)O[C@H]1CN(CC1)C1=C(C=C2C(=N1)N=C(S2)N2CCOCC2)NC(=O)C=2N=C(OC2)C=2C=NC(=CC2)OC>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC.[Cl-].[NH4+]>O[C@H]1CN(CC1)C1=C(C=C2C(=N1)N=C(S2)N2CCOCC2)NC(=O)C=2N=C(OC2)C=2C=NC(=CC2)OC | 3 |
[NH:1]([C:7]([O:9][C:10]([CH3:13])([CH3:12])[CH3:11])=[O:8])[C@@H:2]([C:4]([OH:6])=O)[CH3:3].[CH2:14]([NH:16][C:17]1[CH:22]=[C:21]([C:23]([F:26])([F:25])[F:24])[N:20]=[CH:19][C:18]=1[NH2:27])[CH3:15]>C(Cl)Cl>[CH2:14]([NH:16][C:17]1[CH:22]=[C:21]([C:23]([F:24])([F:25])[F:26])[N:20]=[CH:19][C:18]=1[NH:27][C:4](=[O:6])[CH... | 2 |
C(C)OC=1C=C(C=CC1OCC)C=1SC=C(N1)C1=CC(=C(C=C1)O)C(=O)O>C(C)(=O)OC(C)=O>C(C)OC=1C=C(C=CC1OCC)C=1SC=C(N1)C1=CC(=C(C=C1)OC(C)=O)C(=O)O | 3 |
Cl[CH2:2][C:3]1[CH2:4][S:5][C@@H:6]2[CH:26]([NH:27][C:28](=[O:60])/[C:29](=[N:55]\[O:56][CH2:57][C:58]#[CH:59])/[C:30]3[N:31]=[C:32]([NH:35][C:36]([C:49]4[CH:54]=[CH:53][CH:52]=[CH:51][CH:50]=4)([C:43]4[CH:48]=[CH:47][CH:46]=[CH:45][CH:44]=4)[C:37]4[CH:42]=[CH:41][CH:40]=[CH:39][CH:38]=4)[S:33][CH:34]=3)[C:25](=[O:61])... | 1 |
CC[Mg+].[Br-].ClC1=NC=CC(=C1)C1=C(C=C(C=C1)C=1N=NN(C1)C1C(N(C2=C(CC1)C=CC=C2)CC(F)(F)F)=O)OC>C1CCCO1.CN1C(CCC1)=O.Cc(c[c-](C)o1)o[Fe+3]123(oc(c[c-](C)o2)C)oc(c[c-](C)o3)C>C(C)C1=NC=CC(=C1)C1=C(C=C(C=C1)C=1N=NN(C1)C1C(N(C2=C(CC1)C=CC=C2)CC(F)(F)F)=O)OC | 3 |
ClC=1C=CC(=NC1)N.O=C1N(CCC1(C1=CC=CC=C1)C1=CC=CC=C1)CC(=O)O>ClCCl.C(C(=O)Cl)(=O)Cl.CN1CCOCC1>ClC=1C=CC(=NC1)NC(CN1C(C(CC1)(C1=CC=CC=C1)C1=CC=CC=C1)=O)=O | 3 |
Br[C:2]1[N:7]=[C:6]2[N:8]([C@@H:13]3[C:21]4[C:16](=[CH:17][C:18]([C:22]5[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=5[C:28]5[N:32]([C:33]([C:46]6[CH:51]=[CH:50][CH:49]=[CH:48][CH:47]=6)([C:40]6[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=6)[C:34]6[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=6)[N:31]=[N:30][N:29]=5)=[CH:19][CH:20]=4)[CH2:15... | 2 |
C(C)(C)(C)OC(=O)N[C@H]1[C@@H](CCCC1)N.CS(=O)(=O)OC1CN(CCC1)C1=CC=C(C=C1)C=1OC=CN1>CC#N>O1C(=NC=C1)C1=CC=C(C=C1)N1CC(CCC1)N[C@H]1[C@@H](CCCC1)NC(OC(C)(C)C)=O | 3 |
COC=1N=C2C(=CC=NC2=CC1)OS(=O)(=O)C(F)(F)F.C(C)(C)(C)OC(=O)NCCC1CCNCC1>N(C)(C)C=O.CCN(CC)CC>C(C)(C)(C)OC(NCCC1CCN(CC1)C1=CC=NC2=NC=C(C=C12)OC)=O | 3 |
[N+](=O)([O-])C=1C=C(C(=O)Cl)C=CC1.FC(C(C(F)(F)F)(O)C1=CC=C(C=C1)CN1CCNCC1)(F)F>>FC(C(C(F)(F)F)(O)C1=CC=C(CN2CCN(CC2)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C=C1)(F)F | 5 |
[Br-].S1C(=NC=C1)[Zn+].BrC1=CC(=C(S1)C1=C(N=C2N1N=C(C=C2C(CC)CC)C)C)C#N>>C(C)C(CC)C=1C=2N(N=C(C1)C)C(=C(N2)C)C=2SC(=CC2C#N)C=2SC=CN2 | 5 |
ClC=1C=C(C=CC1)B(O)O.BrC1=C(C(=CC2=C1N=C(S2)N)C)F>c3c(P(c1ccccc1)c2ccccc2)cccc3.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.C(C)O.O>ClC=1C=C(C=CC1)C1=C(C(=CC2=C1N=C(S2)N)C)F | 3 |
ClC=1C=C(C=C(C1)Cl)C(=C)C(F)(F)F.ON=C(C1=CC(=CC=C1)N1N=CN=C1)Cl>>ClC=1C=C(C=C(C1)Cl)C1(CC(=NO1)C=1C=C(C=CC1)N1N=CN=C1)C(F)(F)F | 5 |
OC1=NC=C(C=C1[N+](=O)[O-])Br>>CC1=CC=C(C=C1)S(=O)(=O)OC1=NC=C(C=C1[N+](=O)[O-])Br | 5 |
[Cl:1][C:2]1[CH:7]=[C:6](Cl)[N:5]=[C:4]([S:9][CH:10]([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][N:13]=2)[CH3:11])[N:3]=1.C(#[N:20])C.[NH4+].[OH-]>O>[NH2:20][C:6]1[CH:7]=[C:2]([Cl:1])[N:3]=[C:4]([S:9][CH:10]([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][N:13]=2)[CH3:11])[N:5]=1 | 1 |
CC1(CCC(CC1)CC(CC(=O)OCC)=O)C>>NC(=CC(=O)OCC)CC1CCC(CC1)(C)C | 5 |
C(C)(C)OC(C=CC1=CC=C(C=C1)Br)=O>C1(=CC=CC=C1)C.C[Si](C)(C)[N-][Si](C)(C)C.[Li+].C(C)(C)(C)P(C(C)(C)C)C(C)(C)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>C(C)(C)OC(C=CC1=CC=C(C=C1)N)=O | 3 |
[OH:1][C:2]1[C:7]2[C:8](O)([CH3:22])[C:9]3[C:14]([C:15]4([CH2:20][CH2:19][N:18]([CH3:21])[CH2:17][CH2:16]4)[C:6]=2[CH:5]=[CH:4][CH:3]=1)=[CH:13][CH:12]=[CH:11][CH:10]=3.C(=O)([O-])[O-].[Na+].[Na+]>Cl>[OH:1][C:2]1[C:7]2[C:8](=[CH2:22])[C:9]3[C:14]([C:15]4([CH2:16][CH2:17][N:18]([CH3:21])[CH2:19][CH2:20]4)[C:6]=2[CH:5]=[... | 1 |
N(N)C(=O)OCC.O=C1N(C(C2=CC=CC=C12)=O)CC=O>C1(=CC=CC=C1)C>O=C1N(C(C2=CC=CC=C12)=O)C\C=N\NC(=O)OCC | 3 |
[F:1][C:2]1[CH:19]=[CH:18][C:5]([CH2:6][C:7]2[C:16]3[C:11](=[CH:12][CH:13]=[CH:14][CH:15]=3)[C:10](=[O:17])[NH:9][N:8]=2)=[CH:4][C:3]=1[N:20]=[C:21]=[O:22].C[O:24][C:25](=O)[CH:26]([NH:28][CH2:29][C:30]([O:32][C:33]([CH3:36])([CH3:35])[CH3:34])=[O:31])[CH3:27]>C(Cl)Cl>[C:33]([O:32][C:30](=[O:31])[CH2:29][N:28]1[CH:26](... | 1 |
C(C)(C)(C)OC(=O)N1CCC(CC1)OC1=C(C=C(C=C1)[N+](=O)[O-])C(N)=O>CO[H].[HH].[Pd]>C(C)(C)(C)OC(=O)N1CCC(CC1)OC1=C(C=C(N)C=C1)C(N)=O | 3 |
O1C(=CC=C1)CNCC1=CC=C(C=C1)SC(C(=O)OC(C)(C)C)(C)C.ClCC=1N=C(SC1)NC1=CC(=CC=C1)C(F)(F)F>>O1C(=CC=C1)CN(CC=1N=C(SC1)NC1=CC(=CC=C1)C(F)(F)F)CC1=CC=C(C=C1)SC(C(=O)OC(C)(C)C)(C)C | 5 |
C(CC)=O.Cl.CN1N=CC(=C1)C1=CC=2N(C(=N1)C=1C=NN(C1)C1(CCNCC1)CC#N)C=CN2>CC#N.CCN(CC)CC.C(C)(=O)OCC.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>CN1N=CC(=C1)C1=CC=2N(C(=N1)C=1C=NN(C1)C1(CCN(CC1)CCC)CC#N)C=CN2 | 3 |
Br.BrCC(=O)C1=CC=NC=C1.C1(=CCCCC1)C1(C(NC(N(C1=O)C)=O)=O)C>>C1(=CCCCC1)C1(C(N(C(N(C1=O)C)=O)CC(C1=CC=NC=C1)=O)=O)C | 5 |
C(C)OC(=S)SC1=CC(=CC(=C1)F)F>>FC=1C=C(C=C(C1)F)S | 5 |
[N+:1]([C:4]1[CH:5]=[C:6]([CH:10]=[CH:11][CH:12]=1)[C:7](Cl)=[O:8])([O-:3])=[O:2].[CH:13]1[CH:14]=[CH:15][N:16]2[C:21]=1[CH:20]=[CH:19][CH:18]=[CH:17]2.C(OCC)(=O)C.O>ClCCl>[N+:1]([C:4]1[CH:5]=[C:6]([CH:10]=[CH:11][CH:12]=1)[C:7]([C:15]1[N:16]2[C:21]([CH:20]=[CH:19][CH:18]=[CH:17]2)=[CH:13][CH:14]=1)=[O:8])([O-:3])=[O:2... | 1 |
IC1=C(C(=O)O)C=CC=C1C(F)(F)F>>IC1=C(C(=O)Cl)C=CC=C1C(F)(F)F | 5 |
CI.O=C1NC=2CN(CCC2C=C1)C(=O)OC(C)(C)C>C1(=CC=CC=C1)C.[O-2].[Ag+].[Ag+]>COC1=NC=2CN(CCC2C=C1)C(=O)OC(C)(C)C | 3 |
C([O-])([O-])=O.[K+].[K+].[F:7][C:8]1[CH:13]=[C:12]([OH:14])[C:11]([OH:15])=[C:10]([N+:16]([O-:18])=[O:17])[CH:9]=1.Br[CH2:20][CH2:21]Br>CN(C=O)C.C(OCC)(=O)C>[F:7][C:8]1[CH:9]=[C:10]([N+:16]([O-:18])=[O:17])[C:11]2[O:15][CH2:21][CH2:20][O:14][C:12]=2[CH:13]=1 | 1 |
[CH3:1][O:2][C:3]([C:5]1[C:6]([OH:25])=[C:7]2[C:12](=[CH:13][N:14]=1)[N:11]([C@@H:15]([C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1)[CH3:16])[C:10](=[O:23])[C:9](Br)=[CH:8]2)=[O:4].[C:26]1([Sn](CCCC)(CCCC)CCCC)[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=1.CCOC(C)=O.Cl>CN(C=O)C.[Cl-].[Na+].O.Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=C... | 1 |
[Ca:1].[CH3:2][C:3]1[S:10][C:9]2[S:8](=[O:12])(=[O:11])[NH:7][C:6](=[O:13])[C:5]=2[CH:4]=1>CO>[Ca:1].[CH3:2][C:3]1[S:10][C:9]2[S:8](=[O:12])(=[O:11])[NH:7][C:6](=[O:13])[C:5]=2[CH:4]=1 | 1 |
S(O[CH2:6][CH2:7][CH2:8][CH2:9][CH:10]1[C:18]2[C:13](=[CH:14][CH:15]=[CH:16][CH:17]=2)[NH:12][C:11]1=[O:19])(C)(=O)=O.[Cl:20][C:21]1[CH:22]=[C:23]([N:27]2[CH2:32][CH2:31][NH:30][CH2:29][CH2:28]2)[CH:24]=[CH:25][CH:26]=1>>[Cl:20][C:21]1[CH:22]=[C:23]([N:27]2[CH2:32][CH2:31][N:30]([CH2:6][CH2:7][CH2:8][CH2:9][CH:10]3[C:1... | 2 |
[Si](C)(C)(C(C)(C)C)OCC(OCC)C1=NC2=C(C(=NC(=C2)C#N)C=2C=NC=C(C2)Cl)N1C[C@@H]1CC[C@H](CC1)C>>ClC=1C=C(C=NC1)C1=NC(=CC2=C1N(C(=N2)C(CO)OCC)C[C@@H]2CC[C@H](CC2)C)C#N | 5 |
C(#C)C1=C(C=CC=C1)C(F)(F)F.BrC1=C(C=C(C(=C1)C)[N+](=O)[O-])NS(=O)(=O)C>[Cu]I.N(C)(C)C=O.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.[Cl-].[NH4+].C1CCC2=NCCCN2CC1>CC=1C=C2C=C(NC2=CC1[N+](=O)[O-])C1=C(C=CC=C1)C(F)(F)F | 3 |
[CH2:1]([O:3][C:4]1[CH:11]=[CH:10][C:7]([CH:8]=O)=[CH:6][N:5]=1)[CH3:2].[CH3:12][O:13][C:14]1[CH:15]=[C:16]([CH:18]=[CH:19][CH:20]=1)[NH2:17]>C(O)C>[CH2:1]([O:3][C:4]1[N:5]=[CH:6][C:7]([CH:8]=[N:17][C:16]2[CH:18]=[CH:19][CH:20]=[C:14]([O:13][CH3:12])[CH:15]=2)=[CH:10][CH:11]=1)[CH3:2] | 2 |
[Br:1][C:2]1[C:3]([CH3:28])=[CH:4][C:5]2[N:6]([CH:8]=[C:9]([C:11]3[CH:16]=[CH:15][C:14]([O:17][CH2:18][CH2:19][O:20][Si](C(C)(C)C)(C)C)=[CH:13][CH:12]=3)[N:10]=2)[CH:7]=1.[F-].C([N+](CCCC)(CCCC)CCCC)CCC.[Cl-].[NH4+]>O1CCCC1>[Br:1][C:2]1[C:3]([CH3:28])=[CH:4][C:5]2[N:6]([CH:8]=[C:9]([C:11]3[CH:12]=[CH:13][C:14]([O:17][C... | 1 |
NC=1C=CC(=NC1C)C1=CN(C2=CC(=C(C=C12)F)F)C(=O)OC(C)(C)C>ClCCl.C(=O)(C(F)(F)F)O>FC=1C=C2C(=CNC2=CC1F)C1=CC=C(C(=N1)C)N | 3 |
I[C:2]1[CH:3]=[C:4]2[C:25](=[CH:26][C:27]=1[N+:28]([O-:30])=[O:29])[CH2:24][C@:6]1([C:14]3[C:9](=[N:10][CH:11]=[CH:12][CH:13]=3)[N:8]([CH2:15][O:16][CH2:17][CH2:18][Si:19]([CH3:22])([CH3:21])[CH3:20])[C:7]1=[O:23])[CH2:5]2.[Cl-].[C:32]([O:36][C:37](=[O:40])[CH2:38][Zn+])([CH3:35])([CH3:34])[CH3:33]>C1C=CC(/C=C/C(/C=C/C... | 1 |
C(CCC)[Sn](C1=NC=CC=C1)(CCCC)CCCC.BrC1=CC=C(S1)N1C(O[C@@]2(C1)CN1CCC2CC1)=O>>N1=C(C=CC=C1)C1=CC=C(S1)N1C(O[C@@]2(C1)CN1CCC2CC1)=O | 5 |
C([C:4]1[C:5]([O:20][CH3:21])=[CH:6][C:7]2[C:13](=[O:14])[C:12]3[CH:15]=[CH:16][CH:17]=[CH:18][C:11]=3[CH2:10][O:9][C:8]=2[CH:19]=1)C=C.CC(C)=O.[Mn]([O-])(=O)(=O)=O.[K+].S([O-])(O)=O.[Na+].[C:37]([OH:40])(=[O:39])[CH3:38]>O>[CH3:21][O:20][C:5]1[C:4]([CH2:38][C:37]([OH:40])=[O:39])=[CH:19][C:8]2[O:9][CH2:10][C:11]3[CH:1... | 1 |
COC[C@@H](OC=1C=C(C=C(C1)OC1=CC=C(C=C1)S(=O)(=O)C)C1=CC=C(N1)C1=NC=C(C(=O)OCC)C=C1)C>>COC[C@@H](OC=1C=C(C=C(C1)OC1=CC=C(C=C1)S(=O)(=O)C)C1=CC=C(N1)C1=NC=C(C(=O)O)C=C1)C | 5 |
C[S@@](=O)(=N)C1=CC=CC=C1.NC1=NC=C(C(=O)O)C=C1I>N(C)(C)C=O.C(C)(=O)OCC.C(C)(C)N(C(C)C)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>NC1=NC=C(C(=O)N=[S@](C2=CC=CC=C2)(=O)C)C=C1I | 3 |
O[C@@H]1CC[C@H](CC1)NC1=NC(=CC(=N1)C=O)NC=1SC2=NC=CC=C2N1.CC(CCC)(C)N>>CC(CCC)(C)NCC1=NC(=NC(=C1)NC=1SC2=NC=CC=C2N1)N[C@@H]1CC[C@H](CC1)O | 5 |
C(C)(=O)NCCNCC=1C=CC(=NC1OC)C=1C(=C(C=CC1)C=1C(=C(C=CC1)C1=CC=2N(C(C(=CN2)CN(C(OC(C)(C)C)=O)C[C@H]2NC(CC2)=O)=O)C=C1)Cl)Cl>ClCCl.Cl.O1CCOCC1>ClC1=C(C=CC=C1C1=C(C(=CC=C1)C1=CC=2N(C(C(=CN2)CNC[C@H]2NC(CC2)=O)=O)C=C1)Cl)C1=CC=C(C(=N1)OC)CNCCNC(C)=O | 3 |
[CH2:1]([C:3]1([C:11]2[CH:16]=[CH:15][CH:14]=[C:13]([O:17][CH3:18])[CH:12]=2)[CH2:8][NH:7][C:6](=O)[CH:5]([CH3:10])[O:4]1)[CH3:2].[H-].[Al+3].[Li+].[H-].[H-].[H-].C(C(C(C([O-])=O)O)O)([O-])=O.[Na+].[K+]>CCOCC.O>[CH2:1]([C:3]1([C:11]2[CH:16]=[CH:15][CH:14]=[C:13]([O:17][CH3:18])[CH:12]=2)[O:4][CH:5]([CH3:10])[CH2:6][NH:... | 1 |
C(C)(C)(C)OC(=O)N1CCC(CC1)O.CC1=C(C(C(=O)OC)=CC(=C1)[N+](=O)[O-])O>c3c(P(c1ccccc1)c2ccccc2)cccc3.ClCCl.N(=NC(=O)OCC)C(=O)OCC>C(C)(C)(C)OC(=O)N1CCC(CC1)OC1=C(C=C(C=C1C)[N+](=O)[O-])C(=O)OC | 3 |
Br[C:2]1[CH:3]=[CH:4][C:5]2[O:9][C:8]([C:10]([O:12]CC)=[O:11])=[CH:7][C:6]=2[CH:15]=1.[C:16]1(B(O)O)[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1.C(=O)([O-])[O-].[Na+].[Na+].Cl>O.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... | 1 |
C([O:3][C:4]([C:6]1([C:9]2[CH:14]=[CH:13][C:12]([C:15]3[CH:20]=[CH:19][C:18]([C:21]4[O:25][N:24]=[C:23]([CH3:26])[C:22]=4[CH2:27][CH2:28][OH:29])=[CH:17][CH:16]=3)=[CH:11][CH:10]=2)[CH2:8][CH2:7]1)=[O:5])C.Br[CH2:31][CH:32]1[CH2:34][CH2:33]1.[H-].[Na+]>CN(C=O)C>[CH:32]1([CH2:31][O:29][CH2:28][CH2:27][C:22]2[C:23]([CH3:... | 1 |
C(C(C)(C)C)(=O)Cl.C(C(C)(C)C)(=O)O[C@@H]1C[C@@H]([C@@](CC1)(C)[C@@H]1[C@H]([C@@H]2CC=3C(=NC(=CC3)Cl)[C@]2(CC1)C)CO)CO>c1ccncc1>C(C(C)(C)C)(=O)OC[C@@H]1[C@@](CC[C@@H](C1)OC(C(C)(C)C)=O)(C)[C@@H]1[C@H]([C@@H]2CC=3C(=NC(=CC3)Cl)[C@]2(CC1)C)CO | 3 |
[Cl:1][C:2]1[C:3]2[NH:10][CH:9]=[CH:8][C:4]=2[N:5]=[CH:6][N:7]=1.[C:11]([O:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]Br)(=[O:13])[CH3:12].C(=O)([O-])[O-].[Cs+].[Cs+].CN(C)C=O>O>[C:11]([O:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][N:10]1[C:3]2[C:2]([Cl:1])=[N:7][CH:6]=[N:5][C:4]=2[CH:8]=[CH:9]1)(=[O:13])[CH3:12] | 1 |
Br[CH2:2][C:3]1[CH:4]=[C:5]([CH:10]=[CH:11][CH:12]=1)[C:6]([O:8][CH3:9])=[O:7].[C:13]([N:17]1[C:21](=[O:22])[C:20]([NH:23][CH:24]2[CH2:29][CH2:28][NH:27][CH2:26][CH2:25]2)=[C:19]([C:30]2[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=2)[S:18]1(=[O:37])=[O:36])([CH3:16])([CH3:15])[CH3:14]>>[C:13]([N:17]1[C:21](=[O:22])[C:20]([NH:... | 1 |
C1(CC1)S(=O)(=O)Cl.FC1=C2C(=NC=3C1=NOC3C)NC(N2C2=C(C=C(C=C2)I)F)=O>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+]>C1(CC1)S(=O)(=O)N1C(N(C=2C1=NC=1C(C2F)=NOC1C)C1=C(C=C(C=C1)I)F)=O | 3 |
[N+](=O)([O-])C1=CC=C(C(=O)Cl)C=C1.OC1=C(C(C(=O)O)=CC=C1)N>C1(=CC=CC=C1)C.c1ccncc1>OC=1C(=C(C(=O)O)C=CC1)NC(C1=CC=C(C=C1)[N+](=O)[O-])=O | 3 |
[CH3:1][C:2]([C:4]1[CH:12]=[CH:11][C:9]([OH:10])=[C:6]([O:7][CH3:8])[CH:5]=1)=[O:3].[C:13](Cl)(=[O:15])[CH3:14].C(N(CC)CC)C>C(OCC)(=O)C>[CH3:1][C:2]([C:4]1[CH:12]=[CH:11][C:9]([O:10][C:13]([CH3:14])=[O:15])=[C:6]([O:7][CH3:8])[CH:5]=1)=[O:3] | 2 |
C(C)(C)(C)OC(=O)N1CCC(=CC1)B1OC(C(O1)(C)C)(C)C.BrC1=CC(=C(C=C1)C#CCN(C)C)F>O.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.[K+].[K+].O1CCOCC1>CN(CC#CC1=C(C=C(C=C1)C=1CCN(CC1)C(=O)OC(C)(C)C)F)C | 3 |
CC(O)C.F[C:6]1[N:11]=[CH:10][C:9]([C:12](=[O:14])[CH3:13])=[CH:8][CH:7]=1.Cl.[O:16]1[CH:20]=[CH:19][N:18]=[C:17]1[CH2:21][NH2:22].C(N(CC)C(C)C)(C)C>O>[O:16]1[CH:20]=[CH:19][N:18]=[C:17]1[CH2:21][NH:22][C:6]1[N:11]=[CH:10][C:9]([C:12](=[O:14])[CH3:13])=[CH:8][CH:7]=1 | 2 |
IC1CN(C1)C(=O)OC(C)(C)C.BrC1=CC(=C(CN2CCC(CC2)C(=O)OC)C(=C1)C)C>>C(C)(C)(C)OC(=O)N1CC(C1)C1=CC(=C(CN2CCC(CC2)C(=O)OC)C(=C1)C)C | 5 |
COC=1C=C(C=CC1)B(O)O.BrC1=CC=C(C(=O)N(C)CC2=CC(=CC=C2)OC)C=C1>>COC=1C=C(C=CC1)C1=CC=C(C=C1)C(=O)N(C)CC1=CC(=CC=C1)OC | 5 |
C(C)OC(C1=CC=C(C=C1)OC1=CC2=CC=C(C=C2C=C1)OCC1=CC=CC=C1)=O>>C(C1=CC=CC=C1)OC=1C=C2C=CC(=CC2=CC1)OC1=CC=C(C(=O)O)C=C1 | 5 |
NCC(CN)(C)C.C(=O)OCC>>C(=O)NCC(CNC=O)(C)C | 5 |
BrC=1C=C(C=CC1)C(OCC#N)C1=CC(=CC=C1)Cl>>BrC=1C=C(C=CC1)C(OCCN)C1=CC(=CC=C1)Cl | 5 |
C(#N)C(CN(C(OC(C)(C)C)=O)C1=C(C=CC2=CC=C(C=C12)B1OC(C(O1)(C)C)(C)C)OC)=C.BrC1=CC=CC(=N1)C(=O)NC1CCOCC1>O.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(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O>C(#N)C(CN(C(OC(C)(C)C)=O)C1=C(C=CC2=CC=C(C=... | 3 |
[H-].[Na+].[F:3][C:4]1[CH:9]=[CH:8][C:7]([NH:10][C:11]2[NH:15][C:14](/[CH:16]=[CH:17]/[C:18]3[CH:23]=[CH:22][C:21]([N:24]4[CH:28]=[C:27]([CH3:29])[N:26]=[CH:25]4)=[C:20]([O:30][CH3:31])[CH:19]=3)=[N:13][N:12]=2)=[CH:6][CH:5]=1.Br[CH2:33][CH2:34][CH2:35][CH2:36]Br.[Cl-].[NH4+]>CN(C=O)C>[F:3][C:4]1[CH:5]=[CH:6][C:7]([N:1... | 1 |
[Br-].C[Mg+].ClC1=NC2=CC(=C(C=C2N=C1)OC)OC>>CC1=NC2=CC(=C(C=C2N=C1)OC)OC | 5 |
C1CCCCC=1.O1CCCC1.B.[CH2:13]([N:20]([CH2:24][C:25]1[CH:30]=[C:29]([C:31]([F:34])([F:33])[F:32])[CH:28]=[CH:27][C:26]=1[C:35]1[C:36]([O:43]C)=[N:37][CH:38]=[C:39]([C:41]#[CH:42])[CH:40]=1)[C:21](=[O:23])[CH3:22])[C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1.[OH-:45].[Na+].[OH:47]O.Cl>C1COCC1.CO>[C:21]([N:20]([CH2:24][C... | 1 |
N1=CC=C(C=C1)C=1N=C2N(C1)CCC2>N(C)(C)C=O.O.BrN1C(CCC1=O)=O.[O-]S(=O)(=S)[O-].[Na+].[Na+]>BrC1=C(N=C2N1CCC2)C2=CC=NC=C2 | 3 |
[Cl:1][C:2]1[CH:7]=[C:6]([Cl:8])[CH:5]=[CH:4][C:3]=1[C:9]1[N:10]=[C:11]([CH2:28][CH3:29])[C:12]([NH:17][C@@H:18]2[C:26]3[C:21](=[CH:22][CH:23]=[CH:24][CH:25]=3)[CH2:20][C@@H:19]2O)=[N:13][C:14]=1[CH2:15][CH3:16].BrC1N=C(CC)C(NC2C3C(=CC=[C:46]([O:49]C)C=3)CC2)=NC=1CC>[Pd].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=... | 1 |
O1CCC(CC1)NN.NC=1C=2N(C=CN1)C(=CC2C(C#C[Si](C)(C)C)=O)Br>CCN(CC)CC.CCO[H].Cl>BrC1=CC(=C2N1C=CN=C2N)C2=CC=NN2C2CCOCC2 | 3 |
ClS(=O)(=O)O.BrC1=CC(=CC=C1)CCC>C(Cl)(Cl)(Cl)[H]>BrC1=CC(=C(C=C1)S(=O)(=O)Cl)CCC | 3 |
C(C)(=O)OC(C)=O.CCCCCCC.C(C)C(COC1=C(C=O)C=C(C=C1)OCC(CCCC)CC)CCCC>S(O)(O)(=O)=O>C(C)(=O)OC(C1=C(C=CC(=C1)OCC(CCCC)CC)OCC(CCCC)CC)OC(C)=O | 3 |
[Cl:1][C:2]1[S:6][C:5]([C:7]([NH:9][CH2:10][C:11]2[N:12]=[CH:13][N:14]([C:16]3[CH:21]=[CH:20][C:19](I)=[CH:18][CH:17]=3)[CH:15]=2)=[O:8])=[CH:4][CH:3]=1.[NH:23]1[CH2:28][CH2:27][O:26][CH2:25][C:24]1=[O:29].OC1C=CC=C2C=1N=CC=C2.C([O-])([O-])=O.[K+].[K+]>CS(C)=O.[Cu]I>[Cl:1][C:2]1[S:6][C:5]([C:7]([NH:9][CH2:10][C:11]2[N:... | 1 |
C(C)(=O)OC[C@@H](CO)CC(OCC)OCC>ClCCl.CCN(CC)CC.C1(=CC=C(C=C1)S(=O)(=O)Cl)C>C=1(C(=CC=CC1)S(=O)(=O)OC[C@@H](CC(OCC)OCC)COC(C)=O)C | 3 |
Br[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[CH2:8][C:9]([CH:11]1[CH2:16][CH2:15][N:14]([CH2:17][C:18]2[C:23]([O:24][C:25]([CH3:28])([CH3:27])[CH3:26])=[N:22][CH:21]=[CH:20][N:19]=2)[CH2:13][CH2:12]1)=[O:10].[OH-].[Na+].C(OCC)(=O)C.[CH3:37][N:38](C)C=O>[C-]#N.[Zn+2].[C-]#N.[Pd].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(... | 1 |
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