Datasets:
Derify
/
ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
BrC=1C=C(C(N(C1)C)=O)NC1=NN2C(COCC2)=C1>ClCCl.O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C(C)(=O)[O-].[K+]>N1=C(C=C2COCCN21)NC=2C(N(C=C(C2)B2OC(C(O2)(C)C)(C)C)C)=O
3
CC(C)C=1C=C2C(N3C(=NC2=CC1)C=CC(=C3)C(=O)O)=O.N1=CC(=CC=C1)CCCCCl>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].C(C)(=O)OCC.[I-].[K+]>N1=CC(=CC=C1)CCCCOC(=O)C=1C=CC2=NC3=CC=C(C=C3C(N2C1)=O)C(C)C
3
C(C)OC(=O)C=1C2=C(C=NC1)N(N=C2)C2=CC=C(C=C2)F>>FC1=CC=C(C=C1)N1N=CC2=C1C=NC=C2C(=O)O
5
Cl.N1N=CC(=C1)NC1=NC(=NC2=CC=C(C=C12)SC)C=1C=C(OCC(=O)NC(C)(C)C)C=CC1>O.O1CCOCC1.S(=O)(=O)(O[O-])[O-].[K+].[K+].C(O)([O-])=O.[Na+]>Cl.N1N=CC(=C1)NC1=NC(=NC2=CC=C(C=C12)S(=O)(=O)C)C=1C=C(OCC(=O)NC(C)(C)C)C=CC1
3
CN1N=CC(=C1)N.NC=C(C(=O)OCC)C(=O)OCC>C(=O)(C=1NC=CN1)C=1NC=CN1.CS(=O)C>CN1N=CC(=C1)NC(NC=C(C(=O)OCC)C(=O)OCC)=O
3
Br[CH:2]([CH3:8])[C:3]([O:5][CH2:6][CH3:7])=[O:4].[CH3:9][O:10][C:11]1[CH:26]=[CH:25][C:14]([C:15]([C:17]2[CH:22]=[CH:21][C:20]([O:23][CH3:24])=[CH:19][CH:18]=2)=[O:16])=[CH:13][CH:12]=1>[Zn].C1C=CC=CC=1>[CH3:24][O:23][C:20]1[CH:19]=[CH:18][C:17]([C:15]([C:14]2[CH:25]=[CH:26][C:11]([O:10][CH3:9])=[CH:12][CH:13]=2)([OH:...
1
NC1=NC=CC=C1C1=NC=2C(=NC(=CC2)C=2C=C(C#N)C=CC2)N1C1=CC=C(C=C1)CO>O.ClCCl.ClS(Cl)=O>NC1=NC=CC=C1C1=NC=2C(=NC(=CC2)C=2C=C(C#N)C=CC2)N1C1=CC=C(C=C1)CCl
3
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][N:11]([C:14]2[N:19]=[CH:18][C:17]([C:20]3[N:24]4[N:25]=[CH:26][CH:27]=[C:28]([N:29]5[CH2:34][CH2:33][O:32][CH2:31][CH2:30]5)[C:23]4=[N:22][C:21]=3C(O)=O)=[CH:16][CH:15]=2)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[C:38](Cl)(=[O:42])C(Cl)=O.[Si]([N:48]=[N+]=[N-])(C)(C)C.[C...
1
C(OC(=O)[NH:7][C@H:8]1[CH2:13][CH2:12][N:11]([CH2:14][C@H:15]([OH:28])[C:16]2[C:25]3[C:20](=[CH:21][CH:22]=[C:23]([O:26][CH3:27])[N:24]=3)[N:19]=[CH:18][CH:17]=2)[C@H:10]([C:29]([F:32])([F:31])[F:30])[CH2:9]1)(C)(C)C.C(O)(C(F)(F)F)=O>C(Cl)Cl>[NH2:7][C@H:8]1[CH2:13][CH2:12][N:11]([CH2:14][C@@H:15]([C:16]2[C:25]3[C:20](=...
1
ClC1=CC(=NC=C1)C(=O)NC.NC1=CC=C(C=C1)O>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>CNC(=O)C1=NC=CC(=C1)OC1=CC=C(N)C=C1
3
C(CCC)=C1CCCCC=2SC(=CC21)C(=O)O>O.C1CCCO1.N.CN1CCOCC1.C(C(C)C)OC(=O)Cl>C(CCC)=C1CCCCC=2SC(=CC21)C(=O)N
3
NC1=C(C=C(C(=O)NC2CCN(CC2)C)C=C1)OC.ClC1=NC=C2NC(CCN(C2=N1)C(COC)C)=O>>COC=1C=C(C(=O)NC2CCN(CC2)C)C=CC1NC=1N=C2N(CCC(NC2=CN1)=O)C(COC)C
5
[N:1]1[C:10]2[C:5](=[CH:6][C:7]([C:11]3([C:14]4[N:18]5[N:19]=[C:20]([C:23]6[CH:31]=[CH:30][C:26]([C:27](O)=[O:28])=[CH:25][CH:24]=6)[CH:21]=[N:22][C:17]5=[N:16][N:15]=4)[CH2:13][CH2:12]3)=[CH:8][CH:9]=2)[CH:4]=[CH:3][CH:2]=1.Cl.[NH2:33][C@@H:34]([C:42]([CH3:45])([CH3:44])[CH3:43])[C:35]([O:37][C:38]([CH3:41])([CH3:40])...
1
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C(C)OC(CNCCCC1=NC(=CC=C1)Br)=O>C1CCCO1>C(C)OC(CN(C(=O)OC(C)(C)C)CCCC1=NC(=CC=C1)Br)=O
3
[C:1]([S:5][CH2:6][C:7]1[CH:26]=[C:25]([N+:27]([O-])=O)[CH:24]=[CH:23][C:8]=1[O:9][C:10]1[CH:11]=[C:12]([CH2:18][C:19]([O:21][CH3:22])=[O:20])[CH:13]=[CH:14][C:15]=1[O:16][CH3:17])([CH3:4])([CH3:3])[CH3:2].CN(C)N.C>CO>[NH2:27][C:25]1[CH:24]=[CH:23][C:8]([O:9][C:10]2[CH:11]=[C:12]([CH2:18][C:19]([O:21][CH3:22])=[O:20])[...
2
C=C(C(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C.[PH2]([O-])=O.[NH4+]>>OP(=O)CC(C(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C
5
S1C2=C(C=C1C(=O)N[C@@H](CC(C)C)C(=O)O)C=CC=C2.NC(CCNC(OC(C)(C)C)=O)CC>ClCCl.Cl.CN(CCCN=C=NCC)C.CN1CCOCC1.ON1N=NC2=C(C1=O)C=CC=C2>S1C(=CC2=C1C=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCNC(OC(C)(C)C)=O)CC
3
[ClH:1].[NH:2]([C:6]1[CH:14]=[CH:13][C:9]([C:10]([OH:12])=O)=[CH:8][CH:7]=1)[C:3]([NH2:5])=[NH:4].ON1C2C=CC=CC=2N=N1.C1(N=C=NC2CCCCC2)CCCCC1.[N+:40]([C:43]1[CH:52]=[CH:51][C:46]2[N:47]=[C:48]([NH2:50])[S:49][C:45]=2[CH:44]=1)([O-:42])=[O:41]>CN(C)C=O>[ClH:1].[NH:2]([C:6]1[CH:7]=[CH:8][C:9]([C:10]([NH:50][C:48]2[S:49][C...
1
C(C1=CC=CC=C1)OC1=NC(=C(C=C1C(=O)OC)C(=O)OC)CCC>>OC1=NC(=C(C=C1C(=O)OC)C(=O)OC)CCC
5
C(#CC)C=1C=C(C=NC1)B(O)O.BrC=1C=CC(=C(C1)[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)CF)F>O.O.O1CCOCC1.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].Cl[Pd]Cl.C(C)(C)(C)P(C1=CC=C(N(C)C)C=C1)C(C)(C)C>FC1=C(C=C(C=C1)C=1C=NC=C(C1)C#CC)[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)CF
3
CC1(SC(=CC1)C1=CC=C(C=C1)C(F)(F)F)S(=O)(=O)Cl>>[Na+].CC=1SC(=CC1S(=O)[O-])C1=CC=C(C=C1)C(F)(F)F
5
OC1=CC=C(C=O)C=C1.ClC=1C=C(CCl)C=CC1>O.CCO[H].C([O-])([O-])=O.[K+].[K+].[I-].[K+]>ClC=1C=C(COC2=CC=C(C=O)C=C2)C=CC1
3
CN1C(C(=CC=C1)NC(=O)N1C2=C(N3CC[C@H]1C3)C=NC(=N2)C(=O)OC)=O>O.C1CCCO1.CO[H].ClCCl.[OH-].[Li+]>CN1C(C(=CC=C1)NC(=O)N1C2=C(N3CC[C@H]1C3)C=NC(=N2)C(=O)O)=O
3
C[O-].[Na+].[CH3:4][O:5][C:6]1[CH:7]=[C:8]2[C:12](=[CH:13][CH:14]=1)[NH:11][CH:10]=[C:9]2[CH2:15][C:16]#[N:17].[S:18]1[CH:22]=[CH:21][C:20]([CH:23]=O)=[CH:19]1>C(O)C.CCCCCCC.C(OCC)C>[CH3:4][O:5][C:6]1[CH:7]=[C:8]2[C:12](=[CH:13][CH:14]=1)[NH:11][CH:10]=[C:9]2/[C:15](=[CH:23]/[C:20]1[CH:21]=[CH:22][S:18][CH:19]=1)/[C:16...
1
[CH3:1][C:2]1(C)C[CH:6]([OH:8])[CH2:5][C:4](C)(C)N1.[OH:12][CH2:13][CH2:14][N:15]1[C:20](=[O:21])[C:19]([CH3:23])([CH3:22])[NH:18][C:17]([CH3:25])([CH3:24])[C:16]1=[O:26]>>[CH2:1]=[CH2:2].[C:6]([O:12][CH2:13][CH2:14][N:15]1[C:20](=[O:21])[C:19]([CH3:22])([CH3:23])[NH:18][C:17]([CH3:25])([CH3:24])[C:16]1=[O:26])(=[O:8])...
1
FC1C=N[C:5]([N:8]2[CH2:12][CH:11]([C:13]([O:15]C(C)(C)C)=[O:14])[N:10]([CH3:20])[C:9]2=[O:21])=NC=1.[F:22][C:23](F)([F:27])C(O)=O.C1(C)C=CC=CC=1>ClCCl>[F:22][CH:23]([F:27])[CH2:20][N:10]1[CH:11]([C:13]([OH:15])=[O:14])[CH2:12][N:8]([CH3:5])[C:9]1=[O:21]
1
[N:1]1([CH2:7][C:8]2[CH:13]=[CH:12][C:11]([N:14]3[CH2:19][CH2:18][C:17](=O)[CH2:16][CH2:15]3)=[CH:10][CH:9]=2)[CH2:6][CH2:5][O:4][CH2:3][CH2:2]1.[NH:21]1[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]1>>[N:1]1([CH2:7][C:8]2[CH:13]=[CH:12][C:11]([N:14]3[CH2:19][CH2:18][CH:17]([N:21]4[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]4)[C...
1
[CH2:1]([N:8]1[CH2:13][CH:12]=[C:11]([C:14](=[O:22])[CH2:15][C:16]2[CH:20]=[CH:19][S:18][C:17]=2[F:21])[CH2:10][CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1>C(O)C>[CH2:1]([N:8]1[CH2:13][CH2:12][CH:11]([C:14](=[O:22])[CH2:15][C:16]2[CH:20]=[CH:19][S:18][C:17]=2[F:21])[CH2:10][CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4]...
1
[F:1][C:2]1[CH:7]=[C:6]([CH:8]2[CH2:13][CH2:12][CH:11]([CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])[CH2:10][CH2:9]2)[CH:5]=[CH:4][C:3]=1[C:19]1[CH2:24][CH2:23][CH:22]([CH:25]2[CH2:34][CH2:33][C:28]3([O:32][CH2:31][CH2:30][O:29]3)[CH2:27][CH2:26]2)[CH2:21][CH:20]=1.C(=O)([O-])[O-].[K+].[K+].[H][H]>C1(C)C=CC=CC=1.C(O)(C)C.[...
1
[NH2:1][C@@H:2]1[CH2:6][CH2:5][N:4]([C:7]2[N:12]=[CH:11][C:10]([N:13]([CH3:33])[C:14](=[O:32])[C:15]([C:18]3[CH:23]=[C:22]([C:24]([F:27])([F:26])[F:25])[CH:21]=[C:20]([C:28]([F:31])([F:30])[F:29])[CH:19]=3)([CH3:17])[CH3:16])=[C:9]([C:34]3[CH:39]=[CH:38][C:37]([F:40])=[CH:36][C:35]=3[CH3:41])[CH:8]=2)[CH2:3]1.C(N(CC)C(...
1
C(C)OC(C(CP(=O)(O)C(C)NC(=O)OC(C)(C)C)CC1=CC=CC=C1)=O>CCO[H].[OH-].[Na+]>C(C1=CC=CC=C1)C(C(=O)O)CP(=O)(O)C(C)NC(=O)OC(C)(C)C
3
[OH-].[Na+].[Cl:3][C:4]1[C:9]([Cl:10])=[CH:8][C:7]([Cl:11])=[CH:6][C:5]=1[OH:12].Br[CH:14]([CH2:18][CH3:19])[C:15]([OH:17])=[O:16]>>[Cl:3][C:4]1[C:9]([Cl:10])=[CH:8][C:7]([Cl:11])=[CH:6][C:5]=1[O:12][CH:14]([CH2:18][CH3:19])[C:15]([OH:17])=[O:16]
1
CS(Cl)(=O)=O.O[C:7]1([C:13]2[CH:14]=[C:15]3[C:19](=[CH:20][CH:21]=2)[NH:18][CH:17]=[C:16]3[CH2:22][CH2:23][N:24]2[CH2:28][CH2:27][CH2:26][CH2:25]2)[CH2:12][CH2:11][CH2:10][CH2:9][CH2:8]1.C(N(CC)CC)C>ClCCl>[NH3:18].[C:7]1([C:13]2[CH:14]=[C:15]3[C:19](=[CH:20][CH:21]=2)[NH:18][CH:17]=[C:16]3[CH2:22][CH2:23][N:24]2[CH2:25...
1
[Cl:1][C:2]1[CH:7]=[CH:6][N:5]=[C:4]2[N:8]([CH2:12][C:13]3[CH:18]=[CH:17][C:16]([O:19][CH3:20])=[CH:15][C:14]=3[O:21][CH3:22])[C:9]([NH2:11])=[N:10][C:3]=12.Br[CH2:24][C:25](=O)[CH3:26]>CC(C)=O>[Cl:1][C:2]1[C:3]2[N:10]3[CH:24]=[C:25]([CH3:26])[N:11]=[C:9]3[N:8]([CH2:12][C:13]3[CH:18]=[CH:17][C:16]([O:19][CH3:20])=[CH:1...
2
C1(=CN2CCCC3=CC=CC1=C23)[C@@H]2C(NC([C@H]2C2=CNC3=CC=CC=C23)=O)=O>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>N1C=C(C2=CC=CC=C12)[C@H]1[C@@H](CNC1)C1=CN2CCCC3=CC=CC1=C23
3
C(#N)C=1C=C(C(=O)NC2=C(OC3=C2C=C(C=C3F)F)C(=O)N)C=CC1>CN1C(CCC1)=O.[N-]=[N+]=[N-].[Na+]>FC=1C=C(C2=C(C(=C(O2)C(=O)N)NC(C2=CC(=CC=C2)C2=NN=NN2)=O)C1)F
3
[ClH:1].Cl.[NH2:3][C@@H:4]([CH2:10][CH:11]1[CH2:16][CH2:15][CH2:14][CH2:13][CH2:12]1)[CH:5]([OH:9])[C:6]([OH:8])=[O:7].[CH:17](O)([CH3:19])[CH3:18]>>[ClH:1].[CH:17]([O:7][C:6](=[O:8])[CH:5]([OH:9])[C@@H:4]([NH2:3])[CH2:10][CH:11]1[CH2:16][CH2:15][CH2:14][CH2:13][CH2:12]1)([CH3:19])[CH3:18]
1
C(C)(=O)OC(C)=O.NC=1C(=C(C(=O)OC)C=C(C1)Br)C>>C(C)(=O)N1N=CC=2C(=CC(=CC12)Br)C(=O)OC
5
C(CCC)(=O)CC(=O)OCC>>C(C)OC(=O)C1=C(NC2=CC=C(C=C12)O)CCC
5
NC1=C(C(=O)N)C=CC=N1.ClC1=C(CBr)C=C(C=C1)Cl>N(C)(C)C=O>Br.ClC1=C(CN2C(C(=CC=C2)C(=O)N)=N)C=C(C=C1)Cl
3
C(=O)(OC(C)(C)C)N1N=C(C(=C1)Br)C.C(#N)CC1(CN(C1)C=1N=CC(=NC1)C(=O)N[C@H](C(F)(F)F)C)N1N=CC(=C1)B1OC(C(O1)(C)C)(C)C>O.C(=O)(C(F)(F)F)O.O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>FC(C(=O)O)(F)F...
3
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:9]=[CH:10][NH:11][CH:12]=2)=[CH:4][CH:3]=1.[CH2:13](OC(OCC)OCC)C.OS(O)(=O)=O.[CH3:28][NH2:29]>C(O)C.Cl>[CH3:28][NH:29][CH:13]=[N:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2[N:9]=[CH:10][NH:11][CH:12]=2)=[CH:6][CH:7]=1
1
[CH2:1]([O:8][C:9]([NH:11][C@H:12]1[CH2:16][O:15][NH:14][C:13]1=[O:17])=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH3:18][O:19][CH2:20][CH:21]([C:38]([O-:40])=[O:39])[CH2:22][C:23](=O)[C:24]([O:26][CH2:27][C:28]1[CH:33]=[CH:32][C:31]([N+:34]([O-:36])=[O:35])=[CH:30][CH:29]=1)=[O:25].C1CCC(N=C=NC2CCCCC2)CC1.C(OCC...
1
[N+](=O)([O-])C=1C=CC=C2C=C(NC12)C(=O)O.N[C@H](COC(C(C)(C)C)=O)CSCC1=CC=C(C=C1)OC>N(C)(C)C=O.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>COC1=CC=C(CSC[C@@H](COC(C(C)(C)C)=O)NC(=O)C=2NC3=C(C=CC=C3C2)[N+](=O)[O-])C=C1
3
Cl.[NH2:2][CH:3]([CH3:12])[CH2:4][C:5]1[CH:10]=[CH:9][C:8]([OH:11])=[CH:7][N:6]=1.[C:13](Cl)(=[O:15])[CH3:14].[C:17](=[O:20])(O)[O-].[Na+].[CH2:22](Cl)Cl>N1C=CC=CC=1>[C:13]([O:11][C:8]1[CH:9]=[CH:10][C:5]([CH2:4][CH:3]([NH:2][C:17](=[O:20])[CH3:22])[CH3:12])=[N:6][CH:7]=1)(=[O:15])[CH3:14]
1
[C:1]([O-:4])(=[S:3])[CH3:2].[K+].[CH2:6]([C@@H:13]1[CH2:17][O:16][C:15](=[O:18])[N:14]1[C:19](=[O:26])[C@H:20]([CH2:24]I)[CH:21]([CH3:23])[CH3:22])[C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1.O>CN(C=O)C>[CH2:6]([C@@H:13]1[CH2:17][O:16][C:15](=[O:18])[N:14]1[C:19](=[O:26])[C@H:20]([CH2:24][S:3][C:1](=[O:4])[CH3:2])[CH:2...
2
[CH3:1][C:2]1([CH3:18])[CH2:6][CH:5]2[CH:7]([CH2:16][OH:17])[C:8]([N+:13]([O-:15])=[O:14])=[C:9]([CH3:12])[C:10]([CH3:11])=[C:4]2[O:3]1.C(N(CC)CC)C.[CH3:26][S:27](Cl)(=[O:29])=[O:28]>C1(C)C=CC=CC=1>[CH3:26][S:27]([O:17][CH2:16][CH:7]1[CH:5]2[CH2:6][C:2]([CH3:18])([CH3:1])[O:3][C:4]2=[C:10]([CH3:11])[C:9]([CH3:12])=[C:8...
2
[CH3:1][N:2]1[CH2:7][CH2:6][N:5]([C:8]2[N:13]=[CH:12][C:11]([C:14]3[CH:23]=[C:22]([C:24](O)=[O:25])[C:21]4[C:16](=[CH:17][CH:18]=[CH:19][CH:20]=4)[N:15]=3)=[CH:10][CH:9]=2)[CH2:4][CH2:3]1.[NH2:27][CH2:28][C@H:29]1[CH2:34][CH2:33][C@H:32]([CH2:35][NH:36][C:37](=[O:43])[O:38][C:39]([CH3:42])([CH3:41])[CH3:40])[CH2:31][CH...
2
C(C)(=O)N[C@H]1C([C@H](C1)C(=O)O)(C)C.CC1([C@@H](C[C@@H]1C1=NN=C2N1C1=C(N=C2)N(C=C1)S(=O)(=O)C1=CC=C(C)C=C1)NC(C)=O)C>Cl.O1CCOCC1.C(C)(C)N(C(C)C)CC.CCN=C=NCCCN(C)C>CC1([C@@H](C[C@@H]1C1=NN=C2N1C1=C(N=C2)N(C=C1)S(=O)(=O)C1=CC=C(C)C=C1)N)C
3
C1N(CC12CCNCC2)C2=NC=NC=C2OC2=C(C(=O)N(C(C)C)CC(F)F)C=C(C=C2)F.CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]1OC[C@@H](CC1)NS(NC(C([2H])([2H])[2H])([2H])[2H])(=O)=O>CC#N.C([O-])([O-])=O.[K+].[K+].[I-].[K+].CN1C(CCC1)=O>FC(CN(C(C1=C(C=CC(=C1)F)OC=1C(=NC=NC1)N1CC2(C1)CCN(CC2)C[C@H]2OC[C@@H](CC2)NS(NC(C([2H])([2H])[2H])([2H])[2H])(=O)=O)...
3
C(=O)([O-])O.[Na+].Cl.[C:7]([C:10]1[CH:22]=[CH:21][C:13]([O:14][CH2:15][C:16](=[NH:20])[O:17][CH2:18][CH3:19])=[C:12]([CH2:23][CH2:24][CH3:25])[C:11]=1[OH:26])(=[O:9])[CH3:8]>C(Cl)(Cl)Cl>[C:7]([C:10]1[CH:22]=[CH:21][C:13]([O:14][CH2:15][C:16](=[NH:20])[O:17][CH2:18][CH3:19])=[C:12]([CH2:23][CH2:24][CH3:25])[C:11]=1[OH:...
1
[CH3:1][C:2]1[CH2:3][CH2:4][N:5](CC2C=CC=CC=2)[CH2:6][CH:7]=1.Cl[C:16]([O:18][CH3:19])=[O:17]>C1(C)C=CC=CC=1>[CH3:1][C:2]1[CH2:7][CH2:6][N:5]([C:16]([O:18][CH3:19])=[O:17])[CH2:4][CH:3]=1
2
CN1N=C(C2=CC=CC=C12)N.ClC1=NC=NC=2NC3=CC(=C(C=C3C21)OC)C=2C(=NOC2C)C>>CC1=NOC(=C1C1=C(C=C2C3=C(NC2=C1)N=CN=C3NC3=NN(C1=CC=CC=C31)C)OC)C
5
N1CC(C1)C=1C=C2C(=NC1)C(=C(S2)NC(=O)OC(C)(C)C)C(=O)OC>>C(C)(C)(C)OC(=O)NC1=C(C2=NC=C(C=C2S1)C1CN(C1)C)C(=O)OC
5
C([O-])([O-])=O.[Cs+].[Cs+].CS(O[CH2:12][CH:13]1[N:21]2[C:16](=[CH:17][C:18](=[O:29])[C:19]([O:27][CH3:28])=[C:20]2[C:22](=[O:26])[NH:23][CH2:24][CH3:25])[CH2:15][CH2:14]1)(=O)=O.O>CN(C=O)C>[CH2:24]([N:23]1[C:22](=[O:26])[C:20]2[N:21]3[C:16](=[CH:17][C:18](=[O:29])[C:19]=2[O:27][CH3:28])[CH2:15][CH2:14][CH:13]3[CH2:12]...
2
C(C)OC(CN=[N+]=[N-])=O.FC1=C(C=CC(=C1)C(F)(F)F)C=O>CCO[H].CC[O-].[Na+]>N(=[N+]=[N-])\C(\C(=O)OCC)=C/C1=C(C=C(C=C1)C(F)(F)F)F
3
[NH2:1][C:2]1[C:9]([F:10])=[CH:8][C:5]([C:6]#[N:7])=[C:4]([F:11])[CH:3]=1>[Ni].CO>[NH2:1][C:2]1[C:9]([F:10])=[CH:8][C:5]([CH2:6][NH2:7])=[C:4]([F:11])[CH:3]=1
1
C(C)(=O)C1=NNC(C2=CC(=CC=C12)C=1C=C(C(=O)NC2CC2)C=CC1C)C>[O-][Mn](=O)(=O)=O.[K+].C(C)O.O>C(C)(=O)C1=NN=C(C2=CC(=CC=C12)C=1C=C(C(=O)NC2CC2)C=CC1C)C
3
[F:1][C:2]1[CH:3]=[C:4]([CH2:9][C:10]([O:12][CH3:13])=[O:11])[CH:5]=[CH:6][C:7]=1[OH:8].C([O-])([O-])=O.[K+].[K+].[Cl:20][C:21]1[CH:41]=[CH:40][C:24]([CH2:25][CH2:26][NH:27][C:28](=[O:39])[C:29]2[CH:34]=[CH:33][C:32](Cl)=[C:31]([N+:36]([O-:38])=[O:37])[CH:30]=2)=[CH:23][CH:22]=1>CS(C)=O.C(Cl)Cl>[Cl:20][C:21]1[CH:22]=[C...
1
ClC=1N=CC(=NC1C)C=O>CO[H].[Na+].[BH4-]>ClC=1N=CC(=NC1C)CO
3
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[CH2:13][CH2:12][N:11]([S:14]([CH3:17])(=[O:16])=[O:15])[CH2:10][CH2:9]2)=[CH:4][CH:3]=1.C[Si]([N-][Si](C)(C)C)(C)C.[Li+].Cl[Si](C)(C)C.[N:33]1[CH:38]=[CH:37][CH:36]=[N:35][C:34]=1CCCC=O>C1COCC1>[Br:1][C:2]1[CH:3]=[CH:4][C:5]([N:8]2[CH2:13][CH2:12][N:11]([S:14]([CH:17]=[CH:7][CH2:2]...
2
Cl.N1CCC(NC2OC3C=CC(OCCCO)=CC=3N=2)CC1.[C:23]([O:27][C:28]([N:30]1[CH2:35][CH2:34][CH:33]([NH:36][C:37]2[O:38][C:39]3[CH:45]=[CH:44][C:43]([OH:46])=[CH:42][C:40]=3[N:41]=2)[CH2:32][CH2:31]1)=[O:29])([CH3:26])([CH3:25])[CH3:24].Br[CH2:48][CH2:49][CH2:50][O:51][CH:52]1[CH2:57][CH2:56][CH2:55][CH2:54][O:53]1.C(=O)([O-])[O...
2
CC1=NN2C(N=CC3=C2NC(C(=C3)C3=CC=CC=C3)=O)=C1>>IC=1C(=NN2C1N=CC1=CC(=C(N=C21)O)C2=CC=CC=C2)C
5
CS(=O)(=O)N1C=CC2=CC3=C(C=C12)C(C3)C#N>>N1C=CC2=CC3=C(C=C12)C(C3)C#N
5
CI.OC1CCN(CC1)C(=O)OCC1=CC=CC=C1>N(C)(C)C=O.[H-].[Na+]>COC1CCN(CC1)C(=O)OCC1=CC=CC=C1
3
NC1=NC=CC=C1C=O.CNC1=CC=C(C(=N1)NC1=CC=C(C(=O)OC)C=C1)[N+](=O)[O-]>CS(=O)C.S(=O)([O-])S(=O)[O-].[Na+].[Na+]>NC1=NC=CC=C1C1=NC=2C(=NC(=CC2)NC)N1C1=CC=C(C(=O)OC)C=C1
3
COC=1C=C2C(=CC=NC2=CC1OC)OC1=C(C=C(C=C1)OC)C(O)C=1SC=CN1>>COC=1C=C2C(=CC=NC2=CC1OC)OC1=C(C=C(C=C1)OC)C(=O)C=1SC=CN1
5
Cl.C(C)OC(CCC1NCCCC1)=O.ClC=1C(=C(C=C(C1)C)S(=O)(=O)Cl)C>ClCCl.CCN(CC)CC>C(C)OC(CCC1N(CCCC1)S(=O)(=O)C1=C(C=C(C(=C1)C)Cl)C)=O
3
B(Br)(Br)Br.[CH2:5]([S:11][CH2:12][CH2:13][C:14]1[CH:15]=[N:16][N:17]([CH2:19][CH2:20][CH2:21][CH2:22][CH:23]2[C:32]3[C:27](=[CH:28][C:29]([O:33]C)=[CH:30][CH:31]=3)[CH2:26][CH2:25][C:24]2([C:36]2[CH:41]=[CH:40][C:39]([O:42]C)=[CH:38][CH:37]=2)[CH3:35])[CH:18]=1)[CH2:6][CH2:7][CH2:8][CH2:9][CH3:10].C(=O)(O)[O-].[Na+]>C...
1
COC1OC(CC1)OC.FC1=C(N)C=C(C=C1)[N+](=O)[O-]>C(C)(=O)O>FC1=C(C=C(C=C1)[N+](=O)[O-])N1C=CC=C1
3
Cl.NCC(=O)N1CSC[C@H]1C#N.C1(=CC(=CC=C1)C1CN(C1)C=1C=C2C(=CC=NC2=CC1)C(=O)O)C>CC#N.ClCCl.C(C)(=O)OCC.C(C)(C)N(C(C)C)CC.C(O)([O-])=O.[Na+].F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C(#N)[C@H]1N(CSC1)C(CNC(=O)C1=CC=NC2=CC=C(C=C12)N1CC(C1)C=1C=C(C=CC1)C)=O
3
[CH2:1]([NH:3][C:4]([NH:6][C:7]1[CH:12]=[CH:11][C:10]([C:13]2[N:14]=[C:15]([N:24]3[CH2:29][CH2:28][O:27][CH2:26][C@@H:25]3[CH3:30])[C:16]3[CH2:17][CH2:18][NH:19][CH2:20][CH2:21][C:22]=3[N:23]=2)=[CH:9][CH:8]=1)=[O:5])[CH3:2].O1CCOCC1.C(N(CC)C(C)C)(C)C.[CH3:46][S:47](Cl)(=[O:49])=[O:48]>C(Cl)(Cl)Cl>[CH2:1]([NH:3][C:4]([...
2
[Br-].C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.C(C)(=O)C=1C=C2C=CC(=CC2=CC1)C(=O)OC>CC(C)(C)[O-].[K+].C1CCCO1>C=C(C)C=1C=C2C=CC(=CC2=CC1)C(=O)OC
3
[C:1]([C:5]1[CH:13]=[C:12]2[C:8]([CH2:9][CH:10]([CH2:15][C:16]([CH3:19])([CH3:18])[CH3:17])[C:11]2=O)=[C:7]([C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=2)[C:6]=1[O:26][CH3:27])([CH3:4])([CH3:3])[CH3:2].[BH4-].[Na+].C1COCC1.Cl>O>[C:1]([C:5]1[CH:13]=[C:12]2[C:8](=[C:7]([C:20]3[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=3)[C:6...
1
BrC=1C=C(C(=CC1)Cl)O>>ClC1=C(C=C(C=C1)B1OC(C(O1)(C)C)(C)C)O
5
[F:1][C:2]1[CH:3]=[C:4]([C:8](=[N:20]O)[CH2:9][C:10]2[CH:15]=[CH:14][C:13]([C:16]([F:19])([F:18])[F:17])=[CH:12][N:11]=2)[CH:5]=[CH:6][CH:7]=1.CCN(CC)CC.O.C(OCC)(=O)C>COCCOC>[F:1][C:2]1[CH:3]=[C:4]([C:8]2[CH:9]=[C:10]3[CH:15]=[CH:14][C:13]([C:16]([F:19])([F:18])[F:17])=[CH:12][N:11]3[N:20]=2)[CH:5]=[CH:6][CH:7]=1
2
[CH3:1][O:2][C:3](=[O:15])[C:4]1[CH:9]=[CH:8][C:7]([C:10](=[O:14])[CH2:11][CH2:12][CH3:13])=[CH:6][CH:5]=1.[BH4-].[Na+]>C(O)C.C1COCC1>[CH3:1][O:2][C:3](=[O:15])[C:4]1[CH:9]=[CH:8][C:7]([CH:10]([OH:14])[CH2:11][CH2:12][CH3:13])=[CH:6][CH:5]=1
1
[OH:1][C:2]1[CH:3]=[CH:4][C:5]2[C:9]([CH2:10][C:11]3[CH:16]=[CH:15][C:14]([CH2:17][N:18]4[CH2:22][CH2:21][CH2:20][CH2:19]4)=[C:13]([O:23][CH3:24])[CH:12]=3)=[C:8]([C:25]3[CH:30]=[CH:29][C:28]([O:31][CH2:32][C:33](OC)=[O:34])=[CH:27][CH:26]=3)[S:7][C:6]=2[CH:37]=1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>C1COCC1>[OH:1][C:2]1[CH...
1
C(C)=O.N1[C@H](CCCC1)COC1=CC=NC=2N(C3=C(C21)C=C(N=C3)C#N)COCC[Si](C)(C)C>>C(C)N1[C@H](CCCC1)COC1=CC=NC=2N(C3=C(C21)C=C(N=C3)C#N)COCC[Si](C)(C)C
5
COC1=NN(C=C1CN1C(C2=CC=CC=C2C1=O)=O)C=1C=NC(=NC1)C(F)(F)F>>COC1=NN(C=C1CN)C=1C=NC(=NC1)C(F)(F)F
5
C(C)(C)(C)OC(=O)N1CCC2=C1N=C(N=C2OS(=O)(=O)C(F)(F)F)C2=CC(=C(C=C2)OC)F>O1CCOCC1.CCCCCC.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)[Zn]CC>C(C)(C)(C)OC(=O)N1CCC2=C1N=C(N=C2CC)C2=CC(=C(C=C2)OC)F
3
[OH:1][C@H:2]1[CH2:6][CH2:5][N:4]([C:7]([O:9][CH2:10][C:11]2[CH:16]=[CH:15][C:14]([N+:17]([O-:19])=[O:18])=[CH:13][CH:12]=2)=[O:8])[CH2:3]1.[CH3:20][S:21](Cl)(=[O:23])=[O:22].C(N(CC)CC)C>C(Cl)Cl>[CH3:20][S:21]([O:1][C@H:2]1[CH2:6][CH2:5][N:4]([C:7]([O:9][CH2:10][C:11]2[CH:16]=[CH:15][C:14]([N+:17]([O-:19])=[O:18])=[CH:...
1
[S:1]([NH:5][C:6]1[C:11]([O:12][C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][C:14]=2[Cl:19])=[CH:10][CH:9]=[CH:8][C:7]=1[CH2:20][C:21]([O:23]CC)=[O:22])([CH3:4])(=[O:3])=[O:2].O>[OH-].[Na+]>[S:1]([NH:5][C:6]1[C:11]([O:12][C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][C:14]=2[Cl:19])=[CH:10][CH:9]=[CH:8][C:7]=1[CH2:20][C:21]([OH:23])=[O...
1
[CH2:1]([O:8][CH:9]1[CH2:14][CH2:13][CH:12]([OH:15])[CH:11]([F:16])[CH2:10]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH3:17][C:18]([Si:21](Cl)([CH3:23])[CH3:22])([CH3:20])[CH3:19].N1C=CN=C1.C(=O)(O)[O-].[Na+]>CN(C=O)C>[CH2:1]([O:8][CH:9]1[CH2:14][CH2:13][CH:12]([O:15][Si:21]([C:18]([CH3:20])([CH3:19])[CH3:17])([CH3:2...
1
[OH:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][C:9]([O:11][CH3:12])=[O:10])=[CH:4][CH:3]=1.[H-].[Na+].[CH3:15]I>O1CCCC1>[CH3:15][O:1][C:2]1[CH:3]=[CH:4][C:5]([CH2:8][C:9]([O:11][CH3:12])=[O:10])=[CH:6][CH:7]=1
1
Cl.N1CCC(CC1)CCC=1C=C(C#N)C=CC1.[N+](=O)([O-])C1=CC=C(OC(=O)OC=2C=NC=C(C(=O)OC)C2)C=C1>CC#N.CCN(CC)CC>C(#N)C=1C=C(C=CC1)CCC1CCN(CC1)C(=O)OC=1C=NC=C(C(=O)OC)C1
3
[Cr](Cl)([O-])(=O)=O.[NH+]1C=CC=CC=1.[Si:12]([O:19][CH2:20][CH2:21][CH2:22][OH:23])([C:15]([CH3:18])([CH3:17])[CH3:16])([CH3:14])[CH3:13].CCOCC>ClCCl>[Si:12]([O:19][CH2:20][CH2:21][CH:22]=[O:23])([C:15]([CH3:18])([CH3:17])[CH3:16])([CH3:14])[CH3:13]
1
C1(C)C=CC=CC=1.C([Li])CCC.Br[C:14]1[CH:15]=[C:16]2[C:21](=[CH:22][CH:23]=1)[CH:20]=[C:19]([C:24]([N:26]([CH:30]([CH3:32])[CH3:31])[CH:27]([CH3:29])[CH3:28])=[O:25])[CH:18]=[CH:17]2.[CH3:33][CH:34]([CH3:61])[C:35]([C:37]1[N:38]=[CH:39][N:40]([C:42]([C:55]2[CH:60]=[CH:59][CH:58]=[CH:57][CH:56]=2)([C:49]2[CH:54]=[CH:53][C...
1
Br[C:2]1[CH:11]=[CH:10][C:5]([C:6]([O:8][CH3:9])=O)=[CH:4][C:3]=1[CH2:12][O:13]C.[Cl:15][C:16]1[N:21]=[CH:20][C:19]([C:22](=[N:24]O)[NH2:23])=[CH:18][CH:17]=1>>[Cl:15][C:16]1[CH:17]=[CH:18][C:19]([C:22]2[N:24]=[C:12]([C:3]3[CH:2]=[CH:11][C:10]([C:2]4[CH:11]=[CH:10][CH:5]=[CH:4][C:3]=4[CH3:12])=[C:5]([CH2:6][O:8][CH3:9]...
1
C1(CCCCCCCCC2C=CC=CC=2C=O)C=CC=CC=1.[F:23][C:24]([F:39])([F:38])[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][Mg]Br.CO[C:42]1[CH:47]=[CH:46][CH:45]=[CH:44][C:43]=1[C:48]1[O:49][CH2:50][C:51]([CH3:54])([CH3:53])[N:52]=1>O1CCCC1>[F:23][C:24]([F:39])([F:38])[CH2:25][CH2:26][CH2:2...
1
[OH-].[Na+].[CH3:3][Si:4]([CH3:32])([CH3:31])[C:5]1[CH:6]=[C:7]([C:15]([NH:17][C:18]2[CH:30]=[CH:29][C:21]([CH:22]=[CH:23][C:24]([O:26]CC)=[O:25])=[CH:20][CH:19]=2)=[S:16])[CH:8]=[C:9]([Si:11]([CH3:14])([CH3:13])[CH3:12])[CH:10]=1.Cl>C(O)C>[CH3:14][Si:11]([CH3:12])([CH3:13])[C:9]1[CH:8]=[C:7]([C:15]([NH:17][C:18]2[CH:1...
1
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][N:11]([C:14]([C:16]2[C:25]3[C:20](=[CH:21][CH:22]=[CH:23][CH:24]=3)[CH:19]=[CH:18][CH:17]=2)=[O:15])[CH2:10][C@@H:9]1[CH2:26][CH2:27][OH:28])=[O:7])([CH3:4])([CH3:3])[CH3:2].[C:29](O)(=O)[CH3:30]>C(OCC)=C>[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][N:11]([C:14]([C:16]2[C:25]3[C:20](=...
1
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][C:17]=2[CH3:22])[CH2:9][C:10](N(OC)C)=[O:11])=[CH:4][CH:3]=1.[F:23][C:24]1[CH:29]=[CH:28][C:27]([CH3:30])=[CH:26][N:25]=1>>[Br:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][C:17]=2[CH3:22])[CH2:9][C:10]([C:29]2[C:24]([...
1
COC=1C=C(C=C(C1)OC)N1CCNCC1.COC1=NC2=CC=CC=C2C=C1NC(OC1=CC=CC=C1)=O>C1CCCO1.C1CCC2=NCCCN2CC1>COC1=NC2=CC=CC=C2C=C1NC(=O)N1CCN(CC1)C1=CC(=CC(=C1)OC)OC
3
Cl[S:2]([C:5]1[C:6]([F:15])=[C:7]([C:11]([F:14])=[CH:12][CH:13]=1)[C:8]([OH:10])=[O:9])(=[O:4])=[O:3].S([O-])([O-])=O.[Na+].[Na+].S(=O)(=O)(O)O>O>[F:15][C:6]1[C:5]([S:2]([OH:4])=[O:3])=[CH:13][CH:12]=[C:11]([F:14])[C:7]=1[C:8]([OH:10])=[O:9]
1
[Br:1][C:2]1[CH:10]=[CH:9][CH:8]=[C:7]2[C:3]=1[C:4]1([CH2:15][O:14][C:13]3[CH:16]=[C:17]4[C:21](=[CH:22][C:12]1=3)[CH2:20][CH2:19][O:18]4)[C:5](=[O:11])[NH:6]2.N1C2C(=CC=CC=2)[C:25]2([CH2:35][O:34][C:33]3[CH:36]=C4C(=C[C:32]2=3)CCO4)C1=O.CC1C=CC(S(OC[C@H]2CCCO2)(=O)=O)=CC=1.BrCC1CCCCO1>>[Br:1][C:2]1[CH:10]=[CH:9][CH:8]...
1
[C:1]1([S:7]([C:10]2[C:18]3[C:13](=[CH:14][CH:15]=[C:16]([O:19][CH2:20][CH2:21]OS(C4C=CC(C)=CC=4)(=O)=O)[CH:17]=3)[NH:12][N:11]=2)(=[O:9])=[O:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[NH:33]1[CH2:37][CH2:36][CH2:35][CH2:34]1>C1COCC1>[C:1]1([S:7]([C:10]2[C:18]3[C:13](=[CH:14][CH:15]=[C:16]([O:19][CH2:20][CH2:21][N:33]4[CH2...
1
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([C:32]2[CH:37]=[CH:36][C:35]([Cl:38])=[CH:34][CH:33]=2)[C:9]2[CH:10]=[C:11]3[C:16](=[CH:17][CH:18]=2)[N:15]=[N:14][CH:13]=[C:12]3[NH:19][CH2:20][CH2:21][C:22]2[CH:31]=[CH:30][C:25]([C:26]([O:28]C)=[O:27])=[CH:24][CH:23]=2)=[CH:4][CH:3]=1.[OH-].[Na+]>CO>[Cl:38][C:35]1[CH:36]=[CH:37]...
2
Br[C:2]1[CH:8]=[C:7]([F:9])[C:5]([NH2:6])=[C:4]([F:10])[CH:3]=1.[CH2:11]([C:13]1[CH:14]=[C:15](B(O)O)[CH:16]=[CH:17][CH:18]=1)[CH3:12]>>[CH2:11]([C:13]1[CH:18]=[C:17]([C:2]2[CH:8]=[C:7]([F:9])[C:5]([NH2:6])=[C:4]([F:10])[CH:3]=2)[CH:16]=[CH:15][CH:14]=1)[CH3:12]
1
[CH2:1]([CH:8]1[CH2:13][CH2:12][NH:11][CH2:10][CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH2:14]([CH:16]1[O:18][CH2:17]1)[Cl:15]>>[Cl:15][CH2:14][CH:16]([OH:18])[CH2:17][N:11]1[CH2:12][CH2:13][CH:8]([CH2:1][C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=2)[CH2:9][CH2:10]1
1