smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
FC(C=1C=C(CN(C(C2=CN=C(C=C2C2=C(C=CC=C2)C)I)=O)C)C=C(C1)C(F)(F)F)(F)F.COC(=O)C1=CC=C(C=C1)B(O)O>>COC(C1=CC=C(C=C1)C1=NC=C(C(=C1)C1=C(C=CC=C1)C)C(N(C)CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)=O)=O | 5 |
C(C)(C)N(CC)C(C)C.C(C)OC(=O)C1(C(C1)C=C)NC(=O)C1C(CC(C1)O)C(=O)O>N(C)(C)C=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>C(C)OC(=O)C1(C(C1)C=C)NC(=O)C1C(CC(C1)O)C(N(C)CCCCC=C)=O | 3 |
[CH3:1][O:2][C:3]([CH:5]1[C:13]2[C:8](=[CH:9][CH:10]=[CH:11][CH:12]=2)[CH2:7][CH2:6]1)=[O:4].[CH:14]([N-]C(C)C)(C)C.[Li+].C(NC(C)C)(C)C.Br[CH2:30][CH2:31][CH2:32][CH2:33][C:34]([O:36][CH3:37])=[O:35]>C1COCC1.O.CCOCC>[CH3:1][O:2][C:3]([C:5]1([CH2:30][CH2:31][CH2:32][CH2:33][C:34]([O:36][CH2:37][CH3:14])=[O:35])[C:13]2[C:8](=[CH:9][CH:10]=[CH:11][CH:12]=2)[CH2:7][CH2:6]1)=[O:4] | 1 |
Cl[C:2]1[CH:3]=[C:4]([O:14][C@@H:15]([C@H:17]2[CH2:21][NH:20][C:19](=[O:22])[CH2:18]2)[CH3:16])[C:5]2[N:6]([N:8]=[CH:9][C:10]=2[CH:11]2[CH2:13][CH2:12]2)[CH:7]=1.[CH3:23][C:24]1([CH3:43])[C:32]2[C:27](=[CH:28][C:29](B3OC(C)(C)C(C)(C)O3)=[CH:30][CH:31]=2)[NH:26][C:25]1=[O:42].CC1(C)C2C(=CC=CC=2)NC1=O>>[CH:11]1([C:10]2[CH:9]=[N:8][N:6]3[CH:7]=[C:2]([C:29]4[CH:28]=[C:27]5[C:32]([C:24]([CH3:43])([CH3:23])[C:25](=[O:42])[NH:26]5)=[CH:31][CH:30]=4)[CH:3]=[C:4]([O:14][C@@H:15]([C@@H:17]4[CH2:18][C:19](=[O:22])[NH:20][CH2:21]4)[CH3:16])[C:5]=23)[CH2:13][CH2:12]1 | 1 |
[CH3:1][S:2]([C:5]1[CH:10]=[CH:9][C:8]([NH:11][C:12](=[O:35])[CH2:13][CH:14]2[CH2:19][CH2:18][N:17]([CH2:20][CH2:21][N:22]([C:29]3[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=3)[CH:23]3[CH2:28][CH2:27][NH:26][CH2:25][CH2:24]3)[CH2:16][CH2:15]2)=[CH:7][CH:6]=1)(=[O:4])=[O:3].[F:36][C:37]([F:42])([F:41])[C:38](Cl)=[O:39]>C(#N)C>[CH3:1][S:2]([C:5]1[CH:6]=[CH:7][C:8]([NH:11][C:12](=[O:35])[CH2:13][CH:14]2[CH2:15][CH2:16][N:17]([CH2:20][CH2:21][N:22]([C:29]3[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=3)[CH:23]3[CH2:24][CH2:25][N:26]([C:38](=[O:39])[C:37]([F:42])([F:41])[F:36])[CH2:27][CH2:28]3)[CH2:18][CH2:19]2)=[CH:9][CH:10]=1)(=[O:3])=[O:4] | 2 |
OCC(CC(C)C1CCN(CC1)C(=O)OC(C)(C)C)C>C1(=CC=NC=C1)N(C)C.ClCCl.CCN(CC)CC.C1(=CC=C(C=C1)S(=O)(=O)Cl)C>CC(CC(C)C1CCN(CC1)C(=O)OC(C)(C)C)COS(=O)(=O)C1=CC=C(C)C=C1 | 3 |
[Cl:1][C:2]1[N:3]=[CH:4][N:5]([C:16]2[CH:21]=[CH:20][C:19]([S:22]([NH:25][P:26](=[O:29])([OH:28])[OH:27])(=[O:24])=[O:23])=[CH:18][CH:17]=2)[C:6]=1[C:7]1[CH:12]=[CH:11][C:10]([O:13][CH3:14])=[C:9]([F:15])[CH:8]=1.C([O-])([O-])=O.[Ca+2:34]>O>[Cl:1][C:2]1[N:3]=[CH:4][N:5]([C:16]2[CH:17]=[CH:18][C:19]([S:22]([NH:25][P:26](=[O:27])([O-:28])[O-:29])(=[O:23])=[O:24])=[CH:20][CH:21]=2)[C:6]=1[C:7]1[CH:12]=[CH:11][C:10]([O:13][CH3:14])=[C:9]([F:15])[CH:8]=1.[Ca+2:34] | 1 |
CO[C:3](=[NH:18])[CH2:4][CH2:5][CH2:6][CH2:7][C:8]1[CH:13]=[C:12]([CH2:14][N:15]([CH3:17])[CH3:16])[CH:11]=[CH:10][N:9]=1.[N:19]#[C:20][NH2:21]>CO>[C:20]([NH:21][C:3](=[NH:18])[CH2:4][CH2:5][CH2:6][CH2:7][C:8]1[CH:13]=[C:12]([CH2:14][N:15]([CH3:17])[CH3:16])[CH:11]=[CH:10][N:9]=1)#[N:19] | 1 |
CS(=O)(=O)Cl.OCCCC[C@@H](C(N1CCCCC1)=O)NC(=O)NC1=CC=CC=C1>>CS(=O)(=O)OCCCC[C@@H](C(N1CCCCC1)=O)NC(=O)NC1=CC=CC=C1 | 5 |
O=C1NC(CCC1N1C(C2=CC=C(C=C2C1=O)F)=O)=O.FC=1C=C(C=CC1)[C@@H]1N(CCC1)C=1C=CC=2N(N1)C(=CN2)C2=NC(=CC=C2)N2CCNCC2>C(C)(C)N(C(C)C)CC.CN1C(CCC1)=O>O=C1NC(CCC1N1C(C2=CC=C(C=C2C1=O)N1CCN(CC1)C1=NC(=CC=C1)C1=CN=C2N1N=C(C=C2)N2[C@H](CCC2)C2=CC(=CC=C2)F)=O)=O | 3 |
[Br:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[NH:8][C:9](=O)[CH3:10].FC(F)(F)S(OS(C(F)(F)F)(=O)=O)(=O)=O.C[Si]([N:31]=[N+:32]=[N-:33])(C)C>C(#N)C>[Br:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[N:8]1[C:9]([CH3:10])=[N:33][N:32]=[N:31]1 | 1 |
S(S([O-])=O)([O-])=O.[Na+].[Na+].[CH2:9]([O:11][C:12]([C:14]1[C:18]([N:19]=O)=[C:17]([C:21]2[CH:26]=[CH:25][C:24]([Cl:27])=[CH:23][CH:22]=2)[N:16]([C:28]2[CH:33]=[CH:32][CH:31]=[CH:30][C:29]=2[Cl:34])[N:15]=1)=[O:13])[CH3:10].C(OCC)(=O)C.CCCCCC>C(OCC)(=O)C.O>[CH2:9]([O:11][C:12]([C:14]1[C:18]([NH2:19])=[C:17]([C:21]2[CH:22]=[CH:23][C:24]([Cl:27])=[CH:25][CH:26]=2)[N:16]([C:28]2[CH:33]=[CH:32][CH:31]=[CH:30][C:29]=2[Cl:34])[N:15]=1)=[O:13])[CH3:10] | 1 |
OC1=NN(C=C1C=O)C1=CC=CC=C1.COC=1C=C(C=CC1OCC=1C(=NN(C1)C1=NC=CC=C1)C)CO>>COC=1C=C(COC2=NN(C=C2C=O)C2=CC=CC=C2)C=CC1OCC=1C(=NN(C1)C1=NC=CC=C1)C | 5 |
[CH2:1]([O:3][C:4]1[CH:5]=[C:6]([CH:13]=[C:14]([SH:18])[C:15]([OH:17])=[O:16])[CH:7]=[CH:8][C:9]=1[O:10][CH2:11][CH3:12])[CH3:2].O1CCOCC1.II.S(=O)(O)[O-].[Na+]>O>[CH2:1]([O:3][C:4]1[C:9]([O:10][CH2:11][CH3:12])=[CH:8][C:7]2[S:18][C:14]([C:15]([OH:17])=[O:16])=[CH:13][C:6]=2[CH:5]=1)[CH3:2] | 1 |
I[C:2]1[C:10]2[C:5](=[N:6][CH:7]=[N:8][C:9]=2[NH2:11])[N:4]([CH:12]([C:14]2[CH:15]=[C:16]3[N:21]([C:22]=2[C:23]2[CH:28]=[CH:27][C:26]([CH2:29][N:30]([CH2:41][CH2:42][O:43][Si](C)(C)C(C)(C)C)[CH2:31][CH2:32][O:33][Si](C)(C)C(C)(C)C)=[CH:25][N:24]=2)[CH:20]=[CH:19][CH:18]=[CH:17]3)[CH3:13])[N:3]=1.[F:51][C:52]1[CH:53]=[C:54](B(O)O)[CH:55]=[C:56]([OH:58])[CH:57]=1.CCO.C([O-])([O-])=O.[Na+].[Na+]>COCCOC.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=CC=2)C2C=CC=CC=2)=CC=1>[NH2:11][C:9]1[N:8]=[CH:7][N:6]=[C:5]2[N:4]([CH:12]([C:14]3[CH:15]=[C:16]4[N:21]([C:22]=3[C:23]3[CH:28]=[CH:27][C:26]([CH2:29][N:30]([CH2:41][CH2:42][OH:43])[CH2:31][CH2:32][OH:33])=[CH:25][N:24]=3)[CH:20]=[CH:19][CH:18]=[CH:17]4)[CH3:13])[N:3]=[C:2]([C:54]3[CH:55]=[C:56]([OH:58])[CH:57]=[C:52]([F:51])[CH:53]=3)[C:10]=12 | 2 |
Br[C:2]1[CH:10]=[CH:9][CH:8]=[C:7]2[C:3]=1[C:4]1([C:20]3=[CH:21][C:22]4[O:26][CH2:25][O:24][C:23]=4[CH:27]=[C:19]3[O:18][CH2:17]1)[C:5](=[O:16])[N:6]2[CH2:11][CH2:12][CH:13]1[CH2:15][CH2:14]1.BrC1C=CC=[C:34]2[C:30]=1[C:31]1([C:47]3=[CH:48][C:49]4OCO[C:50]=4[CH:54]=[C:46]3OC1)C(=O)[N:33]2CCCCC.N1C2C(=CC=CC=2)C=C(B(O)O)C=1.CN(C)C1N=CC(B(O)O)=CC=1>>[CH:13]1([CH2:12][CH2:11][N:6]2[C:7]3[C:3](=[C:2]([C:30]4[CH:34]=[N:33][C:48]5[C:47]([CH:31]=4)=[CH:46][CH:54]=[CH:50][CH:49]=5)[CH:10]=[CH:9][CH:8]=3)[C:4]3([C:20]4=[CH:21][C:22]5[O:26][CH2:25][O:24][C:23]=5[CH:27]=[C:19]4[O:18][CH2:17]3)[C:5]2=[O:16])[CH2:14][CH2:15]1 | 1 |
CC(C[C@@H](C(=O)O)N1C(C=C(C=C1)C)=O)C.N[C@@H](CC(=O)OC)C=1C=NC=C(C1)C1=C(C=CC=C1C)C>ClCCl.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>CC1=C(C(=CC=C1)C)C=1C=C(C=NC1)[C@H](CC(=O)OC)NC(C(CC(C)C)N1C(C=C(C=C1)C)=O)=O | 3 |
C12C3C(CC(C3C(CC1)O2)=O)=O>>COC1=CC(C2C3CCC(C12)O3)=O | 5 |
[C:1]([C:3]1[CH:8]=[CH:7][C:6]([C:9]2[C:10]([CH3:45])=[N:11][N:12]([CH2:15][C:16]3[CH:17]=[N:18][N:19](C(C4C=CC=CC=4)(C4C=CC=CC=4)C4C=CC=CC=4)[C:20]=3[C:21]([O:23][CH2:24][CH3:25])=[O:22])[C:13]=2[CH3:14])=[CH:5][CH:4]=1)#[N:2].CC1C(C2C=CC(C#N)=CC=2)=C(C)NN=1.ICC1C(C(OCC)=O)=NN(C(C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)C=1.C(O)(C(F)(F)F)=O.C(=O)([O-])O.[Na+]>>[C:1]([C:3]1[CH:8]=[CH:7][C:6]([C:9]2[C:10]([CH3:45])=[N:11][N:12]([CH2:15][C:16]3[CH:17]=[N:18][NH:19][C:20]=3[C:21]([O:23][CH2:24][CH3:25])=[O:22])[C:13]=2[CH3:14])=[CH:5][CH:4]=1)#[N:2] | 2 |
ClC1=NC2=CC=C(C=C2C(=N1)Cl)OC.N1C[C@H](CC1)NC(C)=O>>ClC1=NC2=CC=C(C=C2C(=N1)N1C[C@H](CC1)NC(C)=O)OC | 5 |
C(CCC)(=O)Cl.FC(C1=CC=C2C(=NNC2=C1)N)(F)F>c1ccncc1>FC(C1=CC=C2C(=NNC2=C1)NC(CCC)=O)(F)F | 3 |
[CH3:1][N:2]([CH3:14])[CH2:3][CH2:4][O:5][C:6]1[CH:13]=[CH:12][C:9]([CH:10]=O)=[CH:8][CH:7]=1.[CH3:15][O:16][C:17]1[CH:18]=[C:19]([CH:21]=[CH:22][CH:23]=1)[NH2:20]>>[CH3:1][N:2]([CH3:14])[CH2:3][CH2:4][O:5][C:6]1[CH:13]=[CH:12][C:9]([CH:10]=[N:20][C:19]2[CH:21]=[CH:22][CH:23]=[C:17]([O:16][CH3:15])[CH:18]=2)=[CH:8][CH:7]=1 | 2 |
[C:1]([C@@H:4]([NH:9][C:10]([C@@H:12]([NH:18][C:19]([O:21][C:22]([CH3:25])([CH3:24])[CH3:23])=[O:20])[CH2:13][CH2:14][C:15]([OH:17])=O)=[O:11])[CH2:5][CH:6]([CH3:8])[CH3:7])(=[O:3])[NH2:2].Cl.[C:27]([C:29]1[CH:36]=[CH:35][C:32]([CH2:33][NH2:34])=[CH:31][CH:30]=1)#[N:28].CCN=C=NCCCN(C)C.Cl.C1C=CC2N(O)N=NC=2C=1.CCN(C(C)C)C(C)C>CN(C=O)C>[C:1]([C@@H:4]([NH:9][C:10](=[O:11])[C@@H:12]([NH:18][C:19]([O:21][C:22]([CH3:25])([CH3:24])[CH3:23])=[O:20])[CH2:13][CH2:14][C:15]([NH:34][CH2:33][C:32]1[CH:35]=[CH:36][C:29]([C:27]#[N:28])=[CH:30][CH:31]=1)=[O:17])[CH2:5][CH:6]([CH3:7])[CH3:8])(=[O:3])[NH2:2] | 2 |
[N+](=O)([O-])OCCCCO.CC(CC(=O)O)(C)C=1C(C2=CC=CC=C2C(C1C)=O)=O>>CC(CC(=O)OCCCCO[N+](=O)[O-])(C)C=1C(C2=CC=CC=C2C(C1C)=O)=O | 5 |
C(C)(C)(C)OC(=O)N([C@H](C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(N[C@@H]1CCCC2=CC=CC=C12)=O)OCC1=CC=C(C(=O)O)C=C1)C(C)(C)C)C)C.OC1=CC=C2C[C@H](N(CC2=C1)C([C@H](C(C)(C)C)NC([C@H](C)N(C(OC(C)(C)C)=O)C)=O)=O)C(N[C@@H]1CCCC2=CC=CC=C12)=O>>C(C)(C)(C)OC(=O)N([C@H](C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(N[C@@H]1CCCC2=CC=CC=C12)=O)OCC1=CC=C(C(=O)OC2=CC=C3C[C@H](N(CC3=C2)C([C@H](C(C)(C)C)NC([C@H](C)N(C)C(=O)OC(C)(C)C)=O)=O)C(N[C@@H]2CCCC3=CC=CC=C23)=O)C=C1)C(C)(C)C)C)C | 5 |
BrC1=CC(=C(C=C1)[C@H]1N([C@@H](CC2=C(C(=CC=C12)N)C)C)CC1(CC1)F)OC>O.C(Cl)(Cl)(Cl)[H].C(C)(=O)O.C(O)([O-])=O.[Na+].N(=O)OCCC(C)C>BrC1=CC(=C(C=C1)[C@H]1N([C@@H](CC2=C3C(=CC=C12)NN=C3)C)CC3(CC3)F)OC | 3 |
[CH3:1][C:2]1[N:7]=[C:6]([NH2:8])[CH:5]=[CH:4][CH:3]=1.[CH2:9]([O:12][C:13]([NH:15][C:16]1[C:17]([C:23](O)=[O:24])=[N:18][C:19]([CH3:22])=[CH:20][CH:21]=1)=[O:14])[CH:10]=[CH2:11]>>[CH2:9]([O:12][C:13](=[O:14])[NH:15][C:16]1[C:17]([C:23]([NH:8][C:6]2[CH:5]=[CH:4][CH:3]=[C:2]([CH3:1])[N:7]=2)=[O:24])=[N:18][C:19]([CH3:22])=[CH:20][CH:21]=1)[CH:10]=[CH2:11] | 2 |
C1(=C(C=CC=C1)CC#N)CC#N>CCO[H].[HH].[Ni]>C1CNCCC2=C1C=CC=C2 | 3 |
BrC1=CC2=C(C(=N1)Cl)N(C=N2)C(C)C>[Na].C(C)(C)O>BrC1=CC2=C(C(=N1)OC(C)C)N(C=N2)C(C)C | 3 |
ClC=1C=C(C=CC1N1C(C=2C(=C3C(=C(C2C1=O)OCC1=CC=CC=C1)C=CC=C3)OCC)=O)CC(=O)OCC>ClCCl.B(Br)(Br)Br>ClC=1C=C(C=CC1N1C(C=2C(=C3C(=C(C2C1=O)O)C=CC=C3)OCC)=O)CC(=O)OCC | 3 |
COC=1C=CC2=C(N(C(CN2)=O)C=2C=C3CCCC(C3=CC2)CNC(OC(C)(C)C)=O)N1>ClCCl.[O-2].[Mn+2]>COC=1C=CC2=C(N(C(C=N2)=O)C=2C=C3CCCC(C3=CC2)CNC(OC(C)(C)C)=O)N1 | 3 |
COC(=O)C=1C=NNC1.C(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)Cl>>COC(=O)C=1C=NN(C1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 | 5 |
C(C1=CC=CC=C1)OC(CC[C@H](CCOC(F)F)NC(=O)OC(C)(C)C)=O>CO[H].[HH].[Pd]>C(C)(C)(C)OC(=O)N[C@H](CCC(=O)O)CCOC(F)F | 3 |
[CH3:1][O:2][CH2:3][O:4][C:5]1[CH:6]=[N:7][CH:8]=[CH:9][CH:10]=1.CN(CCN(C)C)C.[Li]CCCC.CN([CH:27]=[O:28])C.[Cl-].[NH4+]>C1COCC1.CCOC(C)=O.CCCCCC>[CH3:1][O:2][CH2:3][O:4][C:5]1[CH:6]=[N:7][CH:8]=[CH:9][C:10]=1[CH:27]=[O:28] | 2 |
[Cl:1][C:2]1[CH:8]=[CH:7][C:5]([NH2:6])=[C:4]([O:9][CH3:10])[CH:3]=1.C(N(CC)CC)C.[CH3:18][C:19]([CH3:24])([CH3:23])[C:20](Cl)=[O:21]>O1CCCC1.C(Cl)Cl>[CH3:18][C:19]([CH3:24])([CH3:23])[C:20]([NH:6][C:5]1[CH:7]=[CH:8][C:2]([Cl:1])=[CH:3][C:4]=1[O:9][CH3:10])=[O:21] | 1 |
C(C)OC(=O)C1=CC=C2N1N=CC(=C2NC2=CC=C(C=C2)OC2=CC=CC=C2)C#N>CCO[H].[OH-].[Na+]>C(#N)C1=C(C=2N(N=C1)C(=CC2)C(=O)O)NC2=CC=C(C=C2)OC2=CC=CC=C2 | 3 |
C1(=CC=CC=C1)[C@H](C)N[C@@H]1CNCC12CC2>O.CCO[H].Cl.[HH].[OH-].[Pd+2].[OH-]>Cl.Cl.N[C@@H]1CNCC12CC2 | 3 |
[OH:1][C:2]1[CH:3]=[CH:4][C:5]([CH3:8])=[N:6][CH:7]=1.[H-].[Na+].[Cl:11][CH2:12][CH2:13][CH2:14]I.[Na+].[Cl-]>CN(C)C=O.O>[Cl:11][CH2:12][CH2:13][CH2:14][O:1][C:2]1[CH:7]=[N:6][C:5]([CH3:8])=[CH:4][CH:3]=1 | 1 |
OCCCCC(SCC(=O)OCC)CCCC=1C=NC=CC1>C(C)OCC.ClCCl.CCN(CC)CC.CS(=O)(=O)Cl>CS(=O)(=O)OCCCCC(SCC(=O)OCC)CCCC=1C=NC=CC1 | 3 |
FC1=CC=C(C=C1)CC(=O)N.FC1=CC=C(C=C1)CC(=O)NC(OC)=O>>FC1=CC=C(C=C1)CC(=O)N=C=O | 5 |
[NH2:1][C:2]1[C:7]([NH2:8])=[CH:6][C:5]([C:9]2[C:10]([CH3:15])=[N:11][O:12][C:13]=2[CH3:14])=[CH:4][C:3]=1[C:16]([C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][N:25]=1)([C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][N:19]=1)[OH:17].Cl.[CH:31]1([C:35](=N)OCC)[CH2:34][CH2:33][CH2:32]1>CO>[CH:31]1([C:35]2[NH:8][C:7]3[CH:6]=[C:5]([C:9]4[C:10]([CH3:15])=[N:11][O:12][C:13]=4[CH3:14])[CH:4]=[C:3]([C:16]([C:18]4[CH:23]=[CH:22][CH:21]=[CH:20][N:19]=4)([C:24]4[CH:29]=[CH:28][CH:27]=[CH:26][N:25]=4)[OH:17])[C:2]=3[N:1]=2)[CH2:34][CH2:33][CH2:32]1 | 2 |
CN(/C=C(\C=O)/OC=1C=2C3=C(C(N(C3=CC1)CC1=CC=C(C=C1)OC)=O)C=CC2)C.C(C)OC(COC=1C=2C3=C(C(N(C3=CC1)CC1=CC=C(C=C1)OC)=O)C=CC2)OCC>N(C)(C)C=O.P(=O)(Cl)(Cl)Cl>CN(\C=C(\C=O)/OC=1C=2C3=C(C(N(C3=CC1)CC1=CC=C(C=C1)OC)=O)C=CC2)C | 3 |
[CH2:1]([O:3][C:4](=[O:11])[C@H:5]([C@H:7]([CH2:9][CH3:10])[CH3:8])[NH2:6])[CH3:2].[C:12]([O:15][CH2:16][CH3:17])(=O)C.[CH3:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24]>>[CH3:12][O:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:7][CH2:5][C:4]([NH:6][C@H:5]([C:4]([O:3][CH2:1][CH3:2])=[O:11])[C@H:7]([CH2:9][CH3:10])[CH3:8])=[O:3] | 1 |
C(C)(C)(C)N.C1(CCCC1)NC1=NC=CC(=N1)C=1C(=NN2C(=NC=CC21)SC)C2=CC=C(C=C2)F>ClCCl.ClC=1C=C(C(=O)OO)C=CC1>C(C)(C)(C)NC1=NC=CC=2N1N=C(C2C2=NC(=NC=C2)NC2CCCC2)C2=CC=C(C=C2)F | 3 |
Br[C:2]1[CH:7]=[CH:6][C:5]([P:8]([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)[C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)=[CH:4][CH:3]=1.[Mg].[Si:22](OCC)([O:29][CH2:30][CH3:31])([O:26][CH2:27][CH3:28])[O:23][CH2:24][CH3:25]>O1CCCC1>[CH2:24]([O:23][Si:22]([O:29][CH2:30][CH3:31])([O:26][CH2:27][CH3:28])[C:2]1[CH:7]=[CH:6][C:5]([P:8]([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)[C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)=[CH:4][CH:3]=1)[CH3:25] | 1 |
[NH2:1][C@:2]([CH3:13])([CH2:5][CH2:6][C:7]1[N:8]([CH3:12])[CH:9]=[CH:10][CH:11]=1)[CH2:3][OH:4].[C:14](OC(OC(C)(C)C)=O)(OC(C)(C)C)=[O:15].C(N(CC)CC)C>C(Cl)Cl.CN(C)C1C=CN=CC=1>[CH3:13][C@@:2]1([CH2:5][CH2:6][C:7]2[N:8]([CH3:12])[CH:9]=[CH:10][CH:11]=2)[CH2:3][O:4][C:14](=[O:15])[NH:1]1 | 1 |
N1(CCOCC1)C(=O)C1=CC=C(NC1)C1=CC=C(C=C1)O>>IC1=C(C=CC(=C1)C1=NC=C(C=C1)C(=O)N1CCOCC1)O | 5 |
C(C)(C)(C)OC(=O)NCCC=1SC=C(N1)C(=O)OCC>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Na+].[Cl-].[NH4+].BrC(C(Br)(Cl)Cl)(Cl)Cl>BrC1=C(N=C(S1)CCNC(=O)OC(C)(C)C)C(=O)OCC | 3 |
Cl.[CH3:2][N:3]1[C:11](C(CCC)=CCC)=[C:10]2[C:5]([C:6]([C:19]3[C:24]([CH3:25])=[CH:23][C:22]([CH3:26])=[CH:21][C:20]=3[CH3:27])=[CH:7][CH:8]=[CH:9]2)=[N:4]1.CN1C(C(O)(CCC)CCC)=C2C(C(C3C(C)=CC(C)=CC=3C)=CC=C2)=N1>>[CH3:2][N:3]1[CH:11]=[C:10]2[C:5]([C:6]([C:19]3[C:24]([CH3:25])=[CH:23][C:22]([CH3:26])=[CH:21][C:20]=3[CH3:27])=[CH:7][CH:8]=[CH:9]2)=[N:4]1 | 1 |
COC(CCC1=NOC(=N1)C1=CC=CC=C1)=O>O.C1CCCO1.O[Li].O>C1(=CC=CC=C1)C1=NC(=NO1)CCC(=O)O | 3 |
BrC=1SC=C(N1)C(=O)OC.FC1=C(C(=CC(=C1)OC)F)B(O)O>O.C1CCCO1.[F-].[K+].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>FC1=C(C(=CC(=C1)OC)F)C=1SC=C(N1)C(=O)OC | 3 |
C(C)N(C=1C=CC(=C(C1)C=1C=C(C(=O)N[C@H]2CCCC3=CC=CC=C23)C=CN1)[N+](=O)[O-])CC>>NC1=C(C=C(C=C1)N(CC)CC)C=1C=C(C(=O)N[C@H]2CCCC3=CC=CC=C23)C=CN1 | 5 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2[N:10]=[N:11][C:12](Cl)=[CH:13][C:14]=2[C:15]2[CH:20]=[CH:19][C:18]([O:21][CH3:22])=[CH:17][CH:16]=2)=[CH:5][CH:4]=1.[F:24][C:25]1[CH:31]=[C:30]([F:32])[CH:29]=[CH:28][C:26]=1[NH2:27]>>[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2[N:10]=[N:11][C:12]([NH:27][C:26]3[CH:28]=[CH:29][C:30]([F:32])=[CH:31][C:25]=3[F:24])=[CH:13][C:14]=2[C:15]2[CH:20]=[CH:19][C:18]([O:21][CH3:22])=[CH:17][CH:16]=2)=[CH:5][CH:4]=1 | 1 |
Cl.[C:2]([O:5][C:6]1[CH:7]=[C:8]2[C:12](=[CH:13][CH:14]=1)[CH2:11][CH:10]([NH2:15])[CH2:9]2)(=[O:4])[CH3:3].Cl[C:17]1[C:18]2[C:25]([CH3:26])=[CH:24][S:23][C:19]=2[N:20]=[CH:21][N:22]=1.C(N(CC)CC)C>C(O)C>[C:2]([O:5][C:6]1[CH:7]=[C:8]2[C:12](=[CH:13][CH:14]=1)[CH2:11][CH:10]([NH:15][C:17]1[C:18]3[C:25]([CH3:26])=[CH:24][S:23][C:19]=3[N:20]=[CH:21][N:22]=1)[CH2:9]2)(=[O:4])[CH3:3] | 1 |
C(C)OC(=O)C=1C=C2C=CC(=CN2C1)CO>BrBr.ClCCl>C(C)OC(=O)C=1C(=C2C=CC(=CN2C1)CO)Br | 3 |
[Cl:1][C:2]1[C:3]([F:11])=[N:4][C:5]([F:10])=[C:6]([F:9])[C:7]=1F.[OH-].[NH4+:13]>>[NH2:13][C:7]1[C:6]([F:9])=[C:5]([F:10])[N:4]=[C:3]([F:11])[C:2]=1[Cl:1] | 1 |
C(=O)OCC(F)(F)F.COP(OC)(=O)CC[C@H](C[C@H](CNOCC1=CC=CC=C1)O)O>C1CCCO1>COP(OC)(=O)CC[C@H](C[C@H](CN(C=O)OCC1=CC=CC=C1)O)O | 3 |
C(C)(=O)C1=CC=C(C#N)C=C1.C(C=1C(S)=CC=CC1)(=O)OC>C1(=CC=CC=C1)C.CCN(CC)CC>C(C)(=O)C1=CC=C(C=C1)C=1SC2=C(C(N1)=O)C=CC=C2 | 3 |
CON(C)[C:4](=[O:12])[C:5]1[CH:10]=[CH:9][CH:8]=[C:7]([CH3:11])[CH:6]=1.[CH:14]1([Mg]Br)[CH2:16][CH2:15]1>C1COCC1>[CH:14]1([C:4]([C:5]2[CH:6]=[C:7]([CH3:11])[CH:8]=[CH:9][CH:10]=2)=[O:12])[CH2:16][CH2:15]1 | 1 |
[Cl:1][C:2]1[CH:3]=[C:4]([C:8]([C:13]2[CH:18]=[CH:17][CH:16]=[C:15]([Cl:19])[CH:14]=2)(O)[CH2:9][O:10]C)[CH:5]=[CH:6][CH:7]=1.C(=O)([O-])[O-].[Na+].[Na+].C(OCC)(=O)C>C(O)=O>[Cl:1][C:2]1[CH:3]=[C:4]([CH:8]([C:13]2[CH:18]=[CH:17][CH:16]=[C:15]([Cl:19])[CH:14]=2)[CH:9]=[O:10])[CH:5]=[CH:6][CH:7]=1 | 1 |
[C:1]([O:5][C:6](=[O:19])[NH:7][C@H:8]([C@H:16]1[CH2:18][O:17]1)[CH2:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1)([CH3:4])([CH3:3])[CH3:2].[N-:20]=[N+:21]=[N-:22].[Na+].[Cl-].[NH4+]>CCO.O>[C:1]([O:5][C:6](=[O:19])[NH:7][C@@H:8]([CH2:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1)[C@H:16]([OH:17])[CH2:18][N:20]=[N+:21]=[N-:22])([CH3:4])([CH3:3])[CH3:2] | 2 |
[C:1]1([CH2:17][CH2:18][CH2:19][C:20]([OH:22])=[O:21])[C:14]2[C:15]3=[C:16]4[C:11](=[CH:12][CH:13]=2)[CH:10]=[CH:9][CH:8]=[C:7]4[CH:6]=[CH:5][C:4]3=[CH:3][CH:2]=1.[C:23](OC=C)(=O)[CH3:24]>C1(C)C=CC=CC=1>[C:1]1([CH2:17][CH2:18][CH2:19][C:20]([O:22][CH:23]=[CH2:24])=[O:21])[C:14]2[C:15]3=[C:16]4[C:11](=[CH:12][CH:13]=2)[CH:10]=[CH:9][CH:8]=[C:7]4[CH:6]=[CH:5][C:4]3=[CH:3][CH:2]=1 | 1 |
FC1([C@@](NC(COC1(C)C)=S)(C)C1=C(C=CC(=C1)C=1C=NC=NC1)F)F>CO[H].C(C)(C)(C)OO.N>FC1([C@@](N=C(COC1(C)C)N)(C)C1=C(C=CC(=C1)C=1C=NC=NC1)F)F | 3 |
S1N=CC2=C1C=CC=C2OC2=C(C=C(N)C=C2)Cl.ClC=1C2=C(N=CN1)C=CN2CCCl>>S1N=CC2=C1C=CC=C2OC2=C(C=C(C=C2)N2CCN1C3=C(N=CN=C23)C=C1)Cl | 5 |
Br[C:2]1[S:6][C:5]([C:7]([O:9][CH2:10][CH3:11])=[O:8])=[C:4]([C:12]2[CH:17]=[CH:16][C:15]([S:18]([N:21]3[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]3)(=[O:20])=[O:19])=[CH:14][CH:13]=2)[C:3]=1[CH3:27].[Cl:28][C:29]1[CH:34]=[CH:33][C:32](B(O)O)=[CH:31][CH:30]=1>>[Cl:28][C:29]1[CH:34]=[CH:33][C:32]([C:2]2[S:6][C:5]([C:7]([O:9][CH2:10][CH3:11])=[O:8])=[C:4]([C:12]3[CH:13]=[CH:14][C:15]([S:18]([N:21]4[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]4)(=[O:19])=[O:20])=[CH:16][CH:17]=3)[C:3]=2[CH3:27])=[CH:31][CH:30]=1 | 1 |
[Mg].[CH3:2][C:3]1([CH3:10])[C:7]([CH3:9])([CH3:8])[O:6][BH:5][O:4]1.Br[CH2:12][C:13]([CH3:15])=[CH2:14].Cl>C1COCC1>[CH3:2][C:3]1([CH3:10])[C:7]([CH3:9])([CH3:8])[O:6][B:5]([CH2:14][C:13]([CH3:15])=[CH2:12])[O:4]1 | 1 |
C(C1=CC=CC=C1)Cl.C1(CCCCC1)B(O)O>[Pd+2].[O-]C(=O)C.[O-]C(=O)C.O1CCOCC1.O.[O-]P(=O)([O-])[O-].[K+].[K+].[K+].CN1C(=NC2=C1C=CC=C2)C2=C(C=CC=C2)P(C2CCCCC2)C2CCCCC2>C1(=CC=CC=C1)C1=C(C=CC=C1)C | 3 |
C(C1=CC=CC=C1)(=O)N1C[C@H](CC1)N(C(OC(C)(C)C)=O)C>ClCCl.C(=O)(C(F)(F)F)O>CN[C@@H]1CN(CC1)C(=O)C1=CC=CC=C1 | 3 |
COC1=NC=CC2=C1C(NN2CC2=CC=C(C=C2)OC)=O>CC#N.c1ccncc1.FC(S(=O)(=O)OS(=O)(=O)C(F)(F)F)(F)F>FC(S(=O)(=O)OC1=NN(C2=C1C(=NC=C2)OC)CC2=CC=C(C=C2)OC)(F)F | 3 |
[N+](=O)([O-])C1=CC=C(C=C1)[C@H](C)NC(=O)C=1C=C2C=CN(C2=CC1)CC1=CC=C(C=C1)C=1C(=CC=CC1)C(=O)OC(C)(C)C>C(C)(C)N(C(C)C)CC>[N+](=O)([O-])C1=CC=C(C=C1)[C@H](C)NC(=O)C=1C=C2C=CN(C2=CC1)CC1=CC=C(C=C1)C=1C(=CC=CC1)C(=O)O | 3 |
C(OCC)(OCC)=O.CC1(CCC(CC1)=O)C>C1CCCO1.[H-].[Na+]>CC1(CCC(C(C1)C(=O)OCC)=O)C | 3 |
FC(CO)(F)F.FC=1C(=NC=CC1)C(=O)O>>FC(COC=1C(=NC=CC1)C(=O)O)(F)F | 5 |
ClCC=O.ClC=1C=C2C(=CC1)NC(C21CCNCC1)=O>O.ClCCl.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>ClC=1C=C2C(=CC1)NC(C21CCN(CC1)CCCl)=O | 3 |
[C:1]([C:5]1[CH:10]=[C:9]([CH2:11][OH:12])[C:8]([CH3:13])=[CH:7][C:6]=1[S:14][C:15]1[C:20](=[O:21])[O:19][C@:18]([CH2:25][CH2:26][C:27]2[CH:32]=[CH:31][C:30]([NH:33]C(=O)C)=[CH:29][CH:28]=2)([CH:22]([CH3:24])[CH3:23])[CH2:17][C:16]=1[OH:37])([CH3:4])([CH3:3])[CH3:2].[OH-].[Na+].P(OC[C@H]1O[C@@H](N2C3N=CN=C(N)C=3N=C2)[C@H](O)[C@@H]1O)(OP(O)(O)=O)(=O)O.[C]>C(O)(=O)C.O.C(O)C>[NH2:33][C:30]1[CH:31]=[CH:32][C:27]([CH2:26][CH2:25][C@:18]2([CH:22]([CH3:24])[CH3:23])[O:19][C:20](=[O:21])[C:15]([S:14][C:6]3[CH:7]=[C:8]([CH3:13])[C:9]([CH2:11][OH:12])=[CH:10][C:5]=3[C:1]([CH3:2])([CH3:3])[CH3:4])=[C:16]([OH:37])[CH2:17]2)=[CH:28][CH:29]=1 | 1 |
[N+:1]([C:4]1[C:5]([O:10][C@H:11]([CH3:16])[C:12]([O:14]C)=[O:13])=[N:6][CH:7]=[CH:8][CH:9]=1)([O-:3])=[O:2].[OH-].[Na+].Cl>CO>[N+:1]([C:4]1[C:5]([O:10][C@H:11]([CH3:16])[C:12]([OH:14])=[O:13])=[N:6][CH:7]=[CH:8][CH:9]=1)([O-:3])=[O:2] | 1 |
[OH:1][C:2]1[CH:10]=[CH:9][C:8]([C:11]2[N:12]([C:27]([O:29][C:30]([CH3:33])([CH3:32])[CH3:31])=[O:28])[C:13]3[C:18]([CH:19]=2)=[CH:17][C:16]([CH2:20][N:21]2[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]2)=[CH:15][CH:14]=3)=[C:7]2[C:3]=1[CH2:4][NH:5][C:6]2=[O:34].C(N(CC)CC)C.[F:42][C:43]1[CH:44]=[CH:45][C:46]([CH3:53])=[C:47]([S:49](Cl)(=[O:51])=[O:50])[CH:48]=1>C(#N)C>[CH3:53][C:46]1[CH:45]=[CH:44][C:43]([F:42])=[CH:48][C:47]=1[S:49]([O:1][C:2]1[CH:10]=[CH:9][C:8]([C:11]2[N:12]([C:27]([O:29][C:30]([CH3:31])([CH3:33])[CH3:32])=[O:28])[C:13]3[C:18]([CH:19]=2)=[CH:17][C:16]([CH2:20][N:21]2[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]2)=[CH:15][CH:14]=3)=[C:7]2[C:3]=1[CH2:4][NH:5][C:6]2=[O:34])(=[O:51])=[O:50] | 1 |
C(=O)([O-])OC.[Mg+2].COC(=O)[O-].[CH3:12][O:13][C:14]1[CH:19]=[CH:18][C:17]([O:20][CH3:21])=[CH:16][C:15]=1[C:22](=[O:24])[CH3:23].C(=O)=O.[N:28]1[CH2:29][CH2:30][CH2:31][CH2:32][CH:33]=1.C1CC2N(C3N(C4N2CCCC4)CCCC3)CC1>CN(C)C=O.C(OCC)C.CO>[CH3:12][O:13][C:14]1[CH:19]=[CH:18][C:17]([O:20][CH3:21])=[CH:16][C:15]=1[C:22](=[O:24])[CH2:23][CH:33]1[CH2:32][CH2:31][CH2:30][CH2:29][NH:28]1 | 1 |
[CH2:1]([CH:8]1[NH:12][C:11](=[O:13])[NH:10][C:9]1=[O:14])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C([O-])([O-])=O.[K+].[K+].[N+:21]([C:24]1[CH:32]=[CH:31][C:27]([CH2:28][CH2:29]Br)=[CH:26][CH:25]=1)([O-:23])=[O:22]>CN(C=O)C>[CH2:1]([CH:8]1[NH:12][C:11](=[O:13])[N:10]([CH2:29][CH2:28][C:27]2[CH:26]=[CH:25][C:24]([N+:21]([O-:23])=[O:22])=[CH:32][CH:31]=2)[C:9]1=[O:14])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:8]=[CH:9][CH:10]=1)[CH2:6][NH2:7].[Br:11][CH2:12][CH2:13][CH2:14][CH2:15][C:16]1([C:29](Cl)=[O:30])[C:28]2[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=2[C:22]2[C:17]1=[CH:18][CH:19]=[CH:20][CH:21]=2>>[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:8]=[CH:9][CH:10]=1)[CH2:6][NH:7][C:29]([C:16]1([CH2:15][CH2:14][CH2:13][CH2:12][Br:11])[C:28]2[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=2[C:22]2[C:17]1=[CH:18][CH:19]=[CH:20][CH:21]=2)=[O:30] | 1 |
COC1=CC=C(CN(C2=NC(=NC(=N2)C=2C(=NC=C(C2)CC2CCN(CC2)S(=O)(=O)C)NC=2C=NC(=CC2)OC)C)CC2=CC=C(C=C2)OC)C=C1>>COC1=CC=C(C=N1)NC1=NC=C(C=C1C1=NC(=NC(=N1)C)N)CC1CCN(CC1)S(=O)(=O)C | 5 |
C1(=CC=CC=C1)OC(NC=1N(N=C(C1)C(C)(C)C)C1=CC=C(C=C1)C)=O.COC=1C=C2C(=NC=NC2=CC1OC)OC=1C(=CC(=C(N)C1)F)F>>C(C)(C)(C)C1=NN(C(=C1)NC(=O)NC1=C(C=C(C(=C1)OC1=NC=NC2=CC(=C(C=C12)OC)OC)F)F)C1=CC=C(C=C1)C | 3 |
[NH:1]1[CH2:5][CH2:4][CH2:3][CH2:2]1.C(N(CC)CC)C.[CH3:13][C:14](=[CH2:18])[C:15](Cl)=[O:16].O>C(OCC)C>[CH3:13][C:14]([N:1]1[CH2:5][CH2:4][CH2:3][CH2:2]1)([CH3:18])[CH:15]=[O:16] | 1 |
[Cl:1][C:2]1[CH:20]=[CH:19][C:5]([CH:6]=[CH:7][C:8]([NH:10][CH:11]2[CH2:18][CH2:17][CH2:16]NC(=O)[CH2:12]2)=O)=[CH:4][CH:3]=1.P12(SP3(SP(SP(S3)(S1)=S)(=S)S2)=S)=[S:22].C(=O)([O-])O.[Na+].[N:40]1[CH:45]=CC=CC=1>>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([CH:6]=[CH:7][C:8]2[S:22][C:12]3[NH:40][CH2:45][CH2:16][CH2:17][CH2:18][C:11]=3[N:10]=2)=[CH:19][CH:20]=1 | 1 |
[C:1]([C:3]1[CH:8]=[CH:7][C:6]([CH2:9]Br)=[C:5]([O:11][CH2:12][CH3:13])[CH:4]=1)#[N:2].CN(C=O)C.[OH:19][N:20]1[C:24](=[O:25])[C:23]2=[CH:26][CH:27]=[CH:28][CH:29]=[C:22]2[C:21]1=[O:30].C(=O)([O-])[O-].[K+].[K+]>O>[C:1]([C:3]1[CH:8]=[CH:7][C:6]([CH2:9][O:19][N:20]2[C:21](=[O:30])[C:22]3=[CH:29][CH:28]=[CH:27][CH:26]=[C:23]3[C:24]2=[O:25])=[C:5]([O:11][CH2:12][CH3:13])[CH:4]=1)#[N:2] | 1 |
C=1C=CN2C1CNC1=C(C2)C=CC=C1.ClC1=C(C=CC=C1)C1=C(C=C(C(=C1)OC)C(=O)O)Cl>>ClC1=C(C=CC=C1)C1=CC(=C(C=C1Cl)C(=O)N1CC=2N(CC3=C1C=CC=C3)C=CC2)OC | 5 |
N=1CCCC1C=1C(=NC=C(C1)F)OC>O.CO[H].[Na+].[BH4-]>FC=1C=C(C(=NC1)OC)C1NCCC1 | 3 |
NCC1(CCC(CC1)COCC1=CC=CC=C1)O>C1(=CC=CC=C1)C.O.[OH-].[K+].C(=O)(Cl)Cl>C(C1=CC=CC=C1)OCC1CCC2(CNC(O2)=O)CC1 | 3 |
[C:1]([Mg]Br)#[CH:2].[C:5]([C:13]1[CH:14]=[C:15]([CH:18]=[CH:19][CH:20]=1)[CH:16]=[O:17])(=[O:12])[C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1>O1CCCC1>[C:1]([CH:16]([OH:17])[C:15]1[CH:18]=[CH:19][CH:20]=[C:13]([C:5](=[O:12])[C:6]2[CH:7]=[CH:8][CH:9]=[CH:10][CH:11]=2)[CH:14]=1)#[CH:2] | 1 |
[CH2:1]([O:8][CH2:9][CH:10]=[CH:11][CH2:12][O:13][CH2:14][C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.ClC1C=CC=C(C(OO)=[O:29])C=1.S(S([O-])=O)([O-])=O.[Na+].[Na+]>ClCCl>[CH2:1]([O:8][CH2:9][CH:10]1[O:29][CH:11]1[CH2:12][O:13][CH2:14][C:15]1[CH:16]=[CH:17][CH:18]=[CH:19][CH:20]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
[CH3:1][O:2][C:3]1[C:4]([CH3:12])=[C:5]([CH:9]=[CH:10][CH:11]=1)[C:6]([OH:8])=O.[F:13][C:14]1([F:32])[CH2:19][CH2:18][C:17]([CH2:30][NH2:31])([C:20]2[CH:21]=[N:22][C:23]([C:26]([F:29])([F:28])[F:27])=[CH:24][CH:25]=2)[CH2:16][CH2:15]1>>[F:32][C:14]1([F:13])[CH2:15][CH2:16][C:17]([CH2:30][NH:31][C:6](=[O:8])[C:5]2[CH:9]=[CH:10][CH:11]=[C:3]([O:2][CH3:1])[C:4]=2[CH3:12])([C:20]2[CH:21]=[N:22][C:23]([C:26]([F:27])([F:28])[F:29])=[CH:24][CH:25]=2)[CH2:18][CH2:19]1 | 1 |
O1CCC(CC1)=O.COC=1C=C(C=O)C=C(C1OC)OC>CCO[H].Cl>COC=1C=C(C=C(C1OC)OC)C=C1COCC(C1=O)=CC1=CC(=C(C(=C1)OC)OC)OC | 3 |
ClC1=C(C(=CC=C1)F)CN(CC)CC1=NC=C(C=C1)CO[Si](C)(C)C(C)(C)C>C1CCCO1.F.F.F.C(C)N(CC)CC>ClC1=C(C(=CC=C1)F)CN(CC)CC1=CC=C(C=N1)CO | 3 |
ClC(C(=O)OC)=O.ClC1=C(C=CC(=C1)\C=C\C(C(F)(F)F)C1=CC(=C(C(=C1)Cl)Cl)Cl)CN>ClCCl.CCN(CC)CC>ClC1=C(CNC(C(=O)OC)=O)C=CC(=C1)\C=C\C(C(F)(F)F)C1=CC(=C(C(=C1)Cl)Cl)Cl | 3 |
BrC1=NN=C(O1)[C@@H]1N(C[C@H](CC1)NC(COC1=CC(=C(C=C1)Cl)Cl)=O)C(=O)OC(C)(C)C>[Br-].[Zn+2].[Br-].ClCCl>BrC1=NN=C(O1)[C@H]1CC[C@@H](CN1)NC(COC1=CC(=C(C=C1)Cl)Cl)=O | 3 |
O1C2C=CC=[CH:11][C:6]=2[CH:5]=[CH:4][CH:3]=[N:2]1.[ClH:12].N[N:14]1[C:20]2[CH:21]=[CH:22][CH:23]=[CH:24][C:19]=2[CH:18]([CH3:25])[O:17][CH2:16][CH2:15]1.Cl.N1CCC(=O)CC1>>[ClH:12].[CH3:25][CH:18]1[C:19]2[CH:24]=[CH:23][CH:22]=[C:21]3[C:4]4[CH2:3][NH:2][CH2:11][CH2:6][C:5]=4[N:14]([C:20]=23)[CH2:15][CH2:16][O:17]1 | 1 |
[CH2:1]([O:3][C:4]([C:6]1[C:10]2[C:11](=O)[CH2:12][CH:13]([C:15]3[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=3)[CH2:14][C:9]=2[O:8][CH:7]=1)=[O:5])[CH3:2].[C:22]([NH:25][NH2:26])([NH2:24])=[NH:23].[ClH:27].Cl>C(O)C>[ClH:27].[CH2:1]([O:3][C:4]([C:6]1[C:10]2/[C:11](=[N:26]/[NH:25][C:22]([NH2:24])=[NH:23])/[CH2:12][CH:13]([C:15]3[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=3)[CH2:14][C:9]=2[O:8][CH:7]=1)=[O:5])[CH3:2] | 1 |
OC[C:3]([CH2:10][O:11][CH3:12])([CH2:6][CH:7]([CH3:9])[CH3:8])CO.[CH3:13][O:14][C:15]([O:18][CH3:19])([CH3:17])[CH3:16].C1(C)C=CC(S(O)(=O)=O)=CC=1.C(=O)([O-])O.[Na+]>CN(C)C=O>[CH2:6]([C:3]1([CH2:10][O:11][CH3:12])[CH2:19][O:18][C:15]([CH3:17])([CH3:16])[O:14][CH2:13]1)[CH:7]([CH3:9])[CH3:8] | 2 |
[N+](=O)([O-])C1=CC=C(CC=2NC(=C(N2)C=2C=C3C=CC=NC3=CC2)C2=NC(=CC=C2)C)C=C1>CO[H].[Sn](Cl)Cl>CC1=CC=CC(=N1)C1=C(N=C(N1)CC1=CC=C(C=C1)N)C=1C=C2C=CC=NC2=CC1 | 3 |
C[S-].[Na+].BrC1=C(C=NN(C1=O)CC(=O)OCC)N[C@H]1[C@@H]([C@@H]2C([C@H](C1)C2)(C)C)C>C1(=CC=CC=C1)C.[OH-].[Na+].O1CCOCC1>CSC1=C(C=NN(C1=O)CC(=O)O)N[C@H]1[C@@H]([C@@H]2C([C@H](C1)C2)(C)C)C | 3 |
Br[CH2:2][C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][N:4]=1.Br.BrCC1C=CC=CN=1.C([O-])(O)=O.[Na+].[Si:23]([O:30][C@H:31]1[CH2:36][CH2:35][C@@:34]([C@H:38]2[CH2:46][CH2:45][C@@:44]3([CH3:47])[C@@H:40]([CH2:41][CH2:42][C:43]3=[CH2:48])[C@@H:39]2[CH2:49][OH:50])([CH3:37])[C@@H:33]([CH2:51][O:52][Si:53]([C:56]([CH3:59])([CH3:58])[CH3:57])([CH3:55])[CH3:54])[CH2:32]1)([C:26]([CH3:29])([CH3:28])[CH3:27])([CH3:25])[CH3:24]>C(Cl)Cl.CCOC(C)=O>[Si:23]([O:30][C@H:31]1[CH2:36][CH2:35][C@@:34]([C@H:38]2[CH2:46][CH2:45][C@@:44]3([CH3:47])[C@@H:40]([CH2:41][CH2:42][C:43]3=[CH2:48])[C@@H:39]2[CH2:49][O:50][CH2:2][C:3]2[CH:8]=[CH:7][CH:6]=[CH:5][N:4]=2)([CH3:37])[C@@H:33]([CH2:51][O:52][Si:53]([C:56]([CH3:59])([CH3:58])[CH3:57])([CH3:54])[CH3:55])[CH2:32]1)([C:26]([CH3:29])([CH3:28])[CH3:27])([CH3:25])[CH3:24] | 2 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.