Datasets:
Derify
/
ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](C=C)O[Si](C)(C)C(C)(C)C.Cl.Cl.N1=CC(=CC2=CC=CC=C12)C1=CNC=2N=CN=C(C21)N>>[Si](C)(C)(C(C)(C)C)O[C@@H](CN1C=C(C2=C1N=CN=C2N)C=2C=NC1=CC=CC=C1C2)C=C
5
ClC1=C(C=C(C=C2CCN(CC2)C(=O)OC(C)(C)C)C=C1)OC1=NC=C(C=C1)C(F)(F)F>ClCCl.C(=O)(C(F)(F)F)O>ClC1=C(OC2=NC=C(C=C2)C(F)(F)F)C=C(C=C1)C=C1CCNCC1
3
OC1=CC=C(C=C1)B(O)O.BrC=1C(=NC=C(N1)Br)N>O.O1CCOCC1.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>NC1=NC=C(N=C1C1=CC=C(C=C1)O)Br
3
C[Si](N([Si](C)(C)C)CC=C)(C)C.CN1CCO[SiH](OCC1)C>>CN1CCO[Si](OCC1)(CCCN([Si](C)(C)C)[Si](C)(C)C)C
5
C(C)(C)(C)[Si](C1=CC=CC=C1)(C1=CC=CC=C1)Cl.C(C1=CC=CC=C1)O[C@@H]1[C@@H]([C@@H]([C@H](C1)C=C)O)O>>C(C1=CC=CC=C1)O[C@@H]1[C@@H]([C@@H]([C@H](C1)C=C)O)O[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C
5
C(C)(=O)OC(C)=O.OC1=CC=C(C=C)C=C1>c1ccncc1.C(C)(=O)OC(COC)C>C1(CCCCC1)CCOC(C)OC1=CC=C(C=C)C=C1.C(C)(=O)OC1=CC=C(C=C)C=C1.OC1=CC=C(C=C)C=C1
3
C(C1=CC=CC=C1)OC(=O)ON1C(CCC1=O)=O.NCC=1C=C(N)C=CC1S(=O)(=O)CC>>NC=1C=CC(=C(CNC(OCC2=CC=CC=C2)=O)C1)S(=O)(=O)CC
5
[Cl:1][C:2]1[C:34]([CH3:35])=[CH:33][C:5]([O:6][CH2:7][CH2:8][CH2:9][C:10]2[C:18]3[C:13](=[C:14]([C:19]4[C:20]([CH3:26])=[N:21][N:22]([CH3:25])[C:23]=4[CH3:24])[CH:15]=[CH:16][CH:17]=3)[N:12]([CH2:27][CH2:28][C:29](O)=[O:30])[C:11]=2[CH3:32])=[CH:4][C:3]=1[CH3:36].[N+:37]([C:40]1[CH:45]=[CH:44][C:43]([S:46]([NH2:49])(=...
2
F[B-](F)(F)F.C[O+](C)C.FC1=CC(=C(C=C1)[N+](=O)[O-])O[C@H]1[C@@H](CCCC1)O>>FC1=CC(=C(C=C1)[N+](=O)[O-])O[C@H]1[C@@H](CCCC1)OC
5
C(C)(=O)OC(C)=O.NO.O=C1N(C2=CC=CC=C2C12COC1=CC3=C(OCCO3)C=C12)CC1=CC=C(C#N)C=C1>c1ccncc1.CS(=O)C>CC1=NC(=NO1)C1=CC=C(CN2C(C3(C4=CC=CC=C24)COC2=CC4=C(OCCO4)C=C23)=O)C=C1
3
[OH:1][C:2]1[C:27]([CH3:28])=[C:26]([CH3:29])[C:5]2[N:6]([CH3:25])[C:7]([CH2:9][O:10][C:11]3[CH:24]=[CH:23][C:14]([CH2:15][CH:16]4[S:20][C:19](=[O:21])[NH:18][C:17]4=[O:22])=[CH:13][CH:12]=3)=[N:8][C:4]=2[C:3]=1[CH3:30].[ClH:31]>C(OCC)(=O)C>[ClH:31].[OH:1][C:2]1[C:27]([CH3:28])=[C:26]([CH3:29])[C:5]2[N:6]([CH3:25])[C:7...
1
C([O:4][C@@H:5]([CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[C:6]([OH:8])=[O:7])(=O)C>[OH-].[K+].C(O)C>[OH:4][C@@H:5]([CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[C:6]([OH:8])=[O:7]
1
BrC1=CC=C(C=C1)C1(CC1)NC(OC(C)(C)C)=O>>C(C)(C)(C)OC(NC1(CC1)C1=CC=C(C=C1)I)=O
5
[CH3:1][C:2]([C:4]1[CH:9]=[CH:8][C:7]([O:10][CH2:11][CH:12]=[CH2:13])=[CH:6][CH:5]=1)=[O:3].[CH3:14][O:15][C:16]1[CH:23]=[C:22]([O:24][CH3:25])[CH:21]=[CH:20][C:17]=1[CH:18]=O.Cl>C(O)C>[CH3:1][C:2]([C:4]1[CH:9]=[CH:8][C:7]([O:10][CH3:11])=[CH:6][CH:5]=1)=[O:3].[CH3:14][O:15][C:16]1[CH:23]=[C:22]([O:24][CH3:25])[CH:21]=...
1
OC1(CC1)C(=O)O.Cl.FC1=C(C(=CC(=C1)C1=CC=C2C=NN(C2=C1)C)F)C(=O)N1CCNCC1>N(C)(C)C=O.O.C(C)(C)N(C(C)C)CC.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.F[P-](F)(F)(F)(F)F>FC1=C(C(=O)N2CCN(CC2)C(=O)C2(CC2)O)C(=CC(=C1)C1=CC=C2C=NN(C2=C1)C)F
3
[BH4-].[Na+].C[O:4][C:5]([C@@H:7]1[CH2:11][C@@H:10]([O:12][Si:13]([C:26]([CH3:29])([CH3:28])[CH3:27])([C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=2)[C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[CH2:9][N:8]1[C:30](=[O:43])[NH:31][C:32]1[CH:37]=[CH:36][C:35]([O:38][C:39]([F:42])([F:41])[F:40])=[CH:34][CH:33]=1)=O.O>CO...
1
Br[C:2]1[C:3]([O:12][CH3:13])=[C:4]([CH:7]=[CH:8][C:9]=1[O:10][CH3:11])[CH:5]=[O:6].[CH:14]1(B(O)O)[CH2:16][CH2:15]1.F[B-](F)(F)F.C1([PH+](C2CCCCC2)C2CCCCC2)CCCCC1.[O-]P([O-])([O-])=O.[K+].[K+].[K+]>C1(C)C=CC=CC=1.O.CC([O-])=O.CC([O-])=O.[Pd+2]>[CH:14]1([C:2]2[C:3]([O:12][CH3:13])=[C:4]([CH:7]=[CH:8][C:9]=2[O:10][CH3:1...
2
COC1=NC(=NC(=C1)OC)S.[N+](=O)([O-])N1N=C(C(=C1)[N+](=O)[O-])C>O.CCO[H].[OH-].[K+]>COC1=NC(=NC(=C1)OC)SC1=C(C(=NN1)C)[N+](=O)[O-]
3
FC(C=1C=C(CNC(=O)C2=CC(=NC=C2)C2=C(C=CC=C2)NC(=O)C=2C=C(CSCCC(=O)OC)C=CC2)C=CC1)(F)F>>FC(C=1C=C(CNC(=O)C2=CC(=NC=C2)C2=C(C=CC=C2)NC(=O)C=2C=C(CSCCC(=O)O)C=CC2)C=CC1)(F)F
5
C(C)(=O)OC1=CC=C(C=C1)C1=C(OC2=CC(=CC=C2C1=O)OC(C)=O)C1=CC=NC=C1>>C(C)(=O)OC1=CC=C(C=C1)C1C(OC2=CC(=CC=C2C1O)OC(C)=O)C1=CC=NC=C1
5
N([O-])=[O:2].[Na+].N[C:6]1[N:7]=[N+:8]([O-:26])[C:9]2[CH:15]=[C:14]([O:16][CH2:17][CH2:18][NH:19][C:20](=[O:25])[C:21]([F:24])([F:23])[F:22])[CH:13]=[CH:12][C:10]=2[N:11]=1>O.Cl>[F:22][C:21]([F:24])([F:23])[C:20]([NH:19][CH2:18][CH2:17][O:16][C:14]1[CH:13]=[CH:12][C:10]2[N:11]=[C:6]([OH:2])[N:7]=[N+:8]([O-:26])[C:9]=2...
2
C(OC(=O)[N:5]([N:9]1[C:17]2[C:12](=[CH:13][CH:14]=[CH:15][CH:16]=2)[CH:11]=[CH:10]1)[CH2:6][CH2:7][CH3:8])C.[OH-].[Na+]>C(O)CO.O>[N:9]1([NH:5][CH2:6][CH2:7][CH3:8])[C:17]2[C:12](=[CH:13][CH:14]=[CH:15][CH:16]=2)[CH:11]=[CH:10]1
1
Br[C:2]1[CH:7]=[CH:6][C:5]([Br:8])=[CH:4][N:3]=1.[CH2:9]([OH:16])[C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1.[OH-].[K+].C1OCCOC2C(=CC=CC=2)OCCOCCOC2C(=CC=CC=2)OC1>C1(C)C=CC=CC=1.O>[CH2:9]([O:16][C:2]1[CH:7]=[CH:6][C:5]([Br:8])=[CH:4][N:3]=1)[C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1
1
C1(CC1)C=1C=C(C(N(C1CN1[C@H](CCC1)CC(C)C)CCC1=CC=C(C(=O)OC(C)(C)C)C=C1)=O)C>>C1(CC1)C=1C=C(C(N(C1CN1[C@H](CCC1)CC(C)C)CCC1=CC=C(C(=O)O)C=C1)=O)C
5
C(OC([NH:11][C@H:12]([C:20]([OH:22])=O)[CH2:13][CH2:14][CH2:15][NH:16][C:17](=[NH:19])[NH2:18])=O)C1C=CC=CC=1.[CH3:23][S:24]([Cl:27])(=[O:26])=[O:25].[ClH:28].[C:29]([C@@H:31]1[CH2:35][CH2:34][CH2:33][NH:32]1)#[N:30]>>[ClH:27].[ClH:28].[C:29]([C@@H:31]1[CH2:35][CH2:34][CH2:33][N:32]1[C:20](=[O:22])[C@H:12]([CH2:13][CH2...
1
[N:1]1[CH:6]=[CH:5][CH:4]=[C:3]([CH:7]2[CH2:11][CH2:10][N:9]([C:12]([N:14]3[C:23]4[C:18](=[CH:19][CH:20]=[CH:21][CH:22]=4)[NH:17][CH2:16][CH2:15]3)=[O:13])[CH2:8]2)[CH:2]=1.[C:24](OC(=O)C)(=[O:26])[CH3:25].N>O>[C:24]([N:17]1[C:18]2[C:23](=[CH:22][CH:21]=[CH:20][CH:19]=2)[N:14]([C:12]([N:9]2[CH2:10][CH2:11][CH:7]([C:3]3...
1
COC1=CC(=CC=C1)N>O.C(C)(=O)OC(C)=O.C(C)(=O)O>COC=1C=C(C=CC1)NC(C)=O
3
COC(=O)N[C@H](C(=O)N1[C@@H]2C[C@@H]2C[C@H]1C=1NC(=CN1)C1=CC=C(C=C1)C=1C=C2C=CC(=CC2=CC1)C1=CN=C(N1)[C@H]1N([C@@H]2C[C@@H]2C1)C(=O)OC(C)(C)C)C(C)C>ClCCl.C(=O)(C(F)(F)F)O.Cl.O1CCOCC1>Cl.[C@@H]12N[C@@H](C[C@H]2C1)C=1NC(=CN1)C=1C=C2C=CC(=CC2=CC1)C1=CC=C(C=C1)C1=CN=C(N1)[C@H]1N([C@@H]2C[C@@H]2C1)C([C@H](C(C)C)NC(OC)=O)=O
3
NC=1C2=C(N=CN1)N(C=C2)[C@H]2C[C@@H]([C@@](O2)(C=O)CO)O[Si](C)(C)C(C)(C)C.[N+](=[N-])=C(C(C)=O)P(OC)(OC)=O>CO[H].C([O-])([O-])=O.[K+].[K+]>NC=1C2=C(N=CN1)N(C=C2)[C@H]2C[C@@H]([C@@](O2)(C#C)CO)O[Si](C)(C)C(C)(C)C
3
ClC1=C(C=C(C=C1)OC)C(C(C(F)(F)F)(O)C=1C=CC2=C(N(C(O2)=O)C)C1)C>ClCCl>ClC1=C(C=C(C=C1)O)C(C(C(F)(F)F)(O)C=1C=CC2=C(N(C(O2)=O)C)C1)C
3
C(C)(=O)OC(C)=O.NC1=CC2=C(NC(=NS2(=O)=O)C=2C(N(C3=NC=CC=C3C2O)CCC(C)C)=O)C=C1>>OC1=C(C(N(C2=NC=CC=C12)CCC(C)C)=O)C1=NS(C2=C(N1)C=CC(=C2)NC(C)=O)(=O)=O
5
C(C)(C)NNC(=O)C1=CSC=C1.CC1=C(C=CC=C1C)C1=C(C=CC=C1)CCC(=O)O>N(C)(C)C=O.CCN(CC)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>CC1=C(C=CC=C1C)C1=C(C=CC=C1)CCC(=O)N(NC(=O)C1=CSC=C1)C(C)C
3
[CH3:1][S:2]([NH:5][C:6]1[CH:15]=[C:14]2[C:9]([CH2:10][CH2:11][CH2:12][C:13]2=[O:16])=[CH:8][CH:7]=1)(=[O:4])=[O:3].[Br:17]Br>C(Cl)Cl>[Br:17][CH:12]1[CH2:11][CH2:10][C:9]2[C:14](=[CH:15][C:6]([NH:5][S:2]([CH3:1])(=[O:4])=[O:3])=[CH:7][CH:8]=2)[C:13]1=[O:16]
1
CC1=C(C(=CC(=C1)C)C)O.ClC1=NC(=CC(=C1C)Cl)C>>ClC1=CC(=NC(=C1C)OC1=C(C=C(C=C1C)C)C)C
5
Cl.Cl.NCCN1C=CC=2N=CN=C(C21)NC2=CC(=C(C=C2)OC2=CC(=CC=C2)C(F)(F)F)Cl.CS(=O)(=O)CS(=O)(=O)Cl>>ClC=1C=C(C=CC1OC1=CC(=CC=C1)C(F)(F)F)NC=1C2=C(N=CN1)C=CN2CCNS(=O)(=O)CS(=O)(=O)C
5
[C-]#N.[Na+].BrC=1C=C(C=C(C1)F)C(C(C)NC(C(C)(C)OC1=NC=C(C=C1)C(F)(F)F)=O)CC1=CC=C(C=C1)Cl>O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C1COCCOCCOCCOCCOCCO1>ClC1=CC=C(C=C1)CC(C(C)NC(C(C)(C)OC1=NC=C(C=C1)C(F)(F)F)=O)C1=CC(=...
3
[F:1][C:2]1[CH:3]=[C:4]([CH:18]=[CH:19][CH:20]=1)[CH2:5][N:6]1[C:14]2[C:9](=[CH:10][C:11]([N+:15]([O-])=O)=[CH:12][CH:13]=2)[CH:8]=[N:7]1>CO.[Pd]>[F:1][C:2]1[CH:3]=[C:4]([CH:18]=[CH:19][CH:20]=1)[CH2:5][N:6]1[C:14]2[C:9](=[CH:10][C:11]([NH2:15])=[CH:12][CH:13]=2)[CH:8]=[N:7]1
1
C(C)(C)(C)OC(/C(=C/NC=1SC=CC1C(=O)OC)/C#N)=O>>OC1=C2C(=NC=C1C#N)SC=C2
5
[C:1]([C:5]1[CH:6]=[C:7]2[C:12](=[C:13]([F:15])[CH:14]=1)[C:11](=[O:16])[N:10]([C:17]1[C:18]([CH2:38][OH:39])=[C:19]([N:23]3[CH:27]=[C:26]([C:28]#[N:29])[C:25]([NH:30][C:31]4[CH:36]=[CH:35][C:34]([Cl:37])=[CH:33][N:32]=4)=[N:24]3)[CH:20]=[CH:21][CH:22]=1)[N:9]=[CH:8]2)([CH3:4])([CH3:3])[CH3:2].[O:40]1CCCC1>O>[C:1]([C:5...
1
[CH3:1][N:2]([C@@H:4]1[CH2:22][C@@:21]2([CH3:23])[C@@H:15]([CH2:16][CH2:17]/[C:18]/2=[CH:19]/[CH3:20])[C@H:14]2[C@H:5]1[C@:6]1([CH3:25])[C@@H:11]([CH2:12][CH2:13]2)[CH2:10][C@H:9]([OH:24])[CH2:8][CH2:7]1)[CH3:3]>C(O)C.[Pd]>[CH3:1][N:2]([C@@H:4]1[CH2:22][C@@:21]2([CH3:23])[C@@H:15]([CH2:16][CH2:17][C@@H:18]2[CH2:19][CH3...
1
NC1CN(CCCC1)C(=O)OC(C)(C)C.C1(=CC=CC=C1)S(=O)(=O)N1C=CC=2C1=NC=C(C2Cl)[N+](=O)[O-]>C(C)(C)N(C(C)C)CC.CC(C)O>C(C)(C)(C)OC(=O)N1CC(CCCC1)NC1=C2C(=NC=C1[N+](=O)[O-])N(C=C2)S(=O)(=O)C2=CC=CC=C2
3
O1C(OCC1)CCOC=1C=C(C(=O)OC)C=CC1>C(C)(=O)O>O=CCCOC=1C=C(C(=O)OC)C=CC1
3
N1(CCCCC1)C1CCN(CC1)C(=O)O[C@H]1CC[C@H]2[C@@H]3[C@@H](CC=4C=C(C=CC4[C@H]3CC[C@]12C)OP(=O)(OCC1=CC=CC=C1)OCC1=CC=CC=C1)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F>C(=O)(C(F)(F)F)O>N1(CCCCC1)C1CCN(CC1)C(=O)O[C@H]1CC[C@H]2[C@@H]3[C@@H](CC=4C=C(C=CC4[C@H]3CC[C@]12C)OP(=O)(O)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F
3
N1C=CC=C1.BrC1=CC(=C(C=C1)O)F>>FC1=C(C=CC(=C1)N1C=CC=C1)O
5
Br[C:2]1[CH:7]=[C:6]([CH3:8])[C:5]([CH:9]([C:19]2[CH:24]=[C:23]([F:25])[CH:22]=[CH:21][C:20]=2[F:26])[S:10][C:11]2[CH:16]=[C:15]([F:17])[CH:14]=[C:13]([F:18])[CH:12]=2)=[CH:4][N:3]=1.CCCCCC.C([Li])CCC.CN(C)[CH:40]=[O:41]>C1(C)C=CC=CC=1.C(OCC)(=O)C.O>[F:26][C:20]1[CH:21]=[CH:22][C:23]([F:25])=[CH:24][C:19]=1[CH:9]([S:10...
1
NC1=NN2C(N=CC(=C2C(C)C)C(=O)OCC)=C1C1=CC(=CC=C1)Cl>O.C(Cl)(Cl)(Cl)[H].Cl.N(=O)[O-].[Na+].Cl[Cu]>ClC1=NN2C(N=CC(=C2C(C)C)C(=O)OCC)=C1C1=CC(=CC=C1)Cl
3
BrC1=CC=C(C=C1)O.FC1=NC=C(C=C1)OC(C)C>>BrC1=CC=C(OC2=NC=C(C=C2)OC(C)C)C=C1
5
[C:1]([N:8]([CH3:27])[CH:9]1[CH2:14][CH2:13][CH:12]([NH:15][CH2:16][C:17]2[CH:18]=[C:19](B(O)O)[CH:20]=[CH:21][C:22]=2[F:23])[CH2:11][CH2:10]1)([O:3][C:4]([CH3:7])([CH3:6])[CH3:5])=[O:2].Br[C:29]1[CH:34]=[CH:33][C:32]([C:35](=[O:40])[C:36]([F:39])([F:38])[F:37])=[CH:31][CH:30]=1>>[C:4]([O:3][C:1](=[O:2])[N:8]([CH:9]1[C...
1
C([O:8][C:9]([C:11]1[N:12]=[C:13]([C:37]2[CH:42]=[CH:41][C:40]([F:43])=[CH:39][CH:38]=2)[N:14]([CH2:19][CH2:20][C@@H:21]2[CH2:26][C@H:25]([CH2:27][C:28]([O:30][C:31]([CH3:34])([CH3:33])[CH3:32])=[O:29])[O:24][C:23]([CH3:36])([CH3:35])[O:22]2)[C:15]=1[CH:16]1[CH2:18][CH2:17]1)=[O:10])C1C=CC=CC=1.[H][H]>C1COCC1.[Pd]>[C:3...
2
[Br:1][C:2]1[CH:10]=[CH:9][CH:8]=[C:7]2[C:3]=1[CH:4]=[CH:5][N:6]2[C@@H:11]1[O:28][C@H:27]([CH2:29][O:30]C(=O)C)[C@@H:22]([O:23]C(=O)C)[C@H:17]([O:18]C(=O)C)[C@H:12]1[O:13]C(=O)C.[Cl:34][C:35]1[CH:43]=[CH:42][C:38]([C:39](Cl)=O)=[CH:37][CH:36]=1>>[Br:1][C:2]1[CH:10]=[CH:9][CH:8]=[C:7]2[C:3]=1[C:4]([CH2:39][C:38]1[CH:42]...
1
CC1=NOC(=C1)CC(=O)O.[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)O[C@H]1C[C@H](CC1)N1N=C(N=C1)N>C(C)(=O)OCC.C(C)(C)N(C(C)C)CC.CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC>[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)O[C@H]1C[C@H](CC1)N1N=C(N=C1)NC(CC1=CC(=NO1)C)=O
3
[CH3:1][C:2]([O:9][C:10]1[CH:15]=[CH:14][C:13]([C:16]([F:19])([F:18])[F:17])=[CH:12][N:11]=1)([CH3:8])[C:3]([O:5]CC)=[O:4].[OH-].[Na+]>C(#N)C.O>[CH3:8][C:2]([O:9][C:10]1[CH:15]=[CH:14][C:13]([C:16]([F:18])([F:19])[F:17])=[CH:12][N:11]=1)([CH3:1])[C:3]([OH:5])=[O:4]
2
C(C)OC(CN1N=C(CC1C1=CC=C(C=C1)C1=CC=CC2=C1OC1=C2C=CC=C1)C1=CC=C(C=C1)OC)=O>C1CCCO1.CO[H].[OH-].[K+]>C1=CC=C(C=2OC3=C(C21)C=CC=C3)C3=CC=C(C=C3)C3CC(=NN3CC(=O)O)C3=CC=C(C=C3)OC
3
C1(CCCC1)N1C=C(C=C(C1=O)N1C(CCC1)=O)C(=O)O.N[C@H]([C@@H](CNC1CC(C(C2=CC=C(C=C12)OC)=O)(C)C)O)CC1=CC=CC=C1>>C1(CCCC1)N1C(C(=CC(=C1)C(=O)N[C@H]([C@@H](CN[C@@H]1CC(C(C2=CC=C(C=C12)OC)=O)(C)C)O)CC1=CC=CC=C1)C1=NC=CC=C1)=O
5
C([O:3][C:4]([C:6]1[CH:11]=[CH:10][C:9]([N:12]2[CH2:17][CH2:16][N:15]([C:18]([O:20][CH2:21][CH:22]([CH3:24])[CH3:23])=[O:19])[CH2:14][CH2:13]2)=[CH:8][CH:7]=1)=[O:5])C.[OH-].[Na+]>C1COCC1.CO>[CH2:21]([O:20][C:18]([N:15]1[CH2:16][CH2:17][N:12]([C:9]2[CH:8]=[CH:7][C:6]([C:4]([OH:5])=[O:3])=[CH:11][CH:10]=2)[CH2:13][CH2:1...
1
COC(CCC(=O)O)=O.ON1C(C=2C(C1=O)=CC=CC2)=O.ClC=1C=CC(=C(C1)C1=CC(=CN=N1)N)F>C1(=CC=NC=C1)N(C)C.CS(=O)C.C(C)(C)N=C=NC(C)C.[C@]12(C(=O)CC(CC1)C2(C)C)CS(=O)(=O)O.C1=CC=CC=2C3=CC=CC=C3N(C12)C1=C(C(=C(C(=C1C#N)N1C2=CC=CC=C2C=2C=CC=CC12)N1C2=CC=CC=C2C=2C=CC=CC12)N1C2=CC=CC=C2C=2C=CC=CC12)C#N>NC1=C(N=NC(=C1)C1=C(C=CC(=C1)Cl)F)...
3
[Cl:1][C:2]1[CH:10]=[CH:9][CH:8]=[C:7]2[C:3]=1[C:4]([C:14]([OH:16])=[O:15])=[CH:5][N:6]2[CH2:11][CH2:12][OH:13].[C:17](=O)([O-])[O-].[K+].[K+].IC>CN(C=O)C>[Cl:1][C:2]1[CH:10]=[CH:9][CH:8]=[C:7]2[C:3]=1[C:4]([C:14]([O:16][CH3:17])=[O:15])=[CH:5][N:6]2[CH2:11][CH2:12][OH:13]
2
Cl[C:2]1[C:11]2[C:6](=[CH:7][C:8]([C:14]3[C:15]([CH3:20])=[N:16][O:17][C:18]=3[CH3:19])=[C:9]([O:12][CH3:13])[CH:10]=2)[N:5]=[CH:4][C:3]=1[C:21]([NH2:23])=[O:22].[CH3:24][C:25]1[O:29][C:28]([CH2:30][NH2:31])=[CH:27][CH:26]=1>O1CCOCC1>[CH3:20][C:15]1[C:14]([C:8]2[CH:7]=[C:6]3[C:11]([C:2]([NH:31][CH2:30][C:28]4[O:29][C:2...
1
[CH3:1][C:2]1[CH:11]=[CH:10][CH:9]=[C:8]2[C:3]=1[CH2:4][CH2:5][CH2:6][C@H:7]2[N:12]1[CH2:17][CH2:16][C:15](=O)[CH2:14][CH2:13]1.[C:19]1([NH2:26])[CH:24]=[CH:23][CH:22]=[CH:21][C:20]=1[NH2:25].C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].C(=O)([O-])O.[Na+]>ClC(Cl)C.C(O)(=O)C>[CH3:1][C:2]1[CH:11]=[CH:10][CH:9]=[C:8]2[C:3]=1[CH2:...
1
ICC(=O)N.FC1=C2C=C(NC2=CC=C1OC1=NC=NC2=CC(=C(C=C12)OC)OCCCN1CCNCC1)C>CC#N>C(N)(=O)CN1CCN(CC1)CCCOC1=C(C=C2C(=NC=NC2=C1)OC=1C(=C2C=C(NC2=CC1)C)F)OC
3
C1(=CC=CC=C1)C=O>CO[H].C([O-])([O-])=O.[K+].[K+]>S[C@H]1[C@@H](CC2=CC=CC=C2C1)O
3
[F:1][C:2]1[CH:27]=[CH:26][CH:25]=[C:24]([F:28])[C:3]=1[C:4]([NH:6][C:7]1[CH:11]=[CH:10][N:9]([CH2:12][C:13]2[C:18]([C:19]([F:22])([F:21])[F:20])=[CH:17][CH:16]=[CH:15][C:14]=2[F:23])[N:8]=1)=[O:5].[P:29]([O:39][C:40]([CH3:43])([CH3:42])[CH3:41])([O:34][C:35]([CH3:38])([CH3:37])[CH3:36])([O:31][CH2:32]Cl)=[O:30].[OH-]....
1
C(CCCCl)(Cl)=O.N1(CCCCC1)CC1=CC(=NC=C1)OC\C=C/CN>>N1(CCCCC1)CC1=CC(=NC=C1)OC\C=C/CNC(CCCCl)=O
3
I[CH2:2][CH:3]1[NH:9][C:8](=[O:10])[C:7]2[CH:11]=[CH:12][CH:13]=[CH:14][C:6]=2[C:5]2[CH:15]=[CH:16][CH:17]=[CH:18][C:4]1=2.[CH2:19]([O:26][C:27]1[CH:32]=[C:31](I)[CH:30]=[CH:29][C:28]=1[N:34]1[S:38](=[O:40])(=[O:39])[N:37]([CH2:41][CH2:42][Si:43]([CH3:46])([CH3:45])[CH3:44])[C:36](=[O:47])[CH2:35]1)[C:20]1[CH:25]=[CH:2...
1
CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CC[C:27]1[C:48](C)=[C:47]2[NH:50][C:28]=1[CH:29]=[C:30]1[N:34]=[C:33]3[C:35](C(OC(=O)[C:32]3=[C:31]1C)=O)=[C:36]1[N:40]=[C:39]([CH:41]=[C:42]3[NH:51][C:45](=[CH:46]2)[C:44](C=C)=[C:43]3C)[C@@H:38](C)[C@@H:37]1CCC(O)=O.CS(C)=O.CCN(C(C)C)C(C)C>ClCCl.CN(C=O)C>[C:30]12...
2
OC1C=2N(CC=CC1)N=C1C2CN([C@@H](C1)C)C(=O)OC(C)(C)C>CO[H].[HH].[Pd]>OC1C=2N(CCCC1)N=C1C2CN(C(C1)C)C(=O)OC(C)(C)C
3
CN.C(=O)C1=CC(=NN1C(C)C)S(=O)(=O)N(CC1=CC=C(C=C1)OC)CC1=CC=C(C=C1)OC>O.C1CCCO1.C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>C(C)(C)N1N=C(C=C1CNC)S(=O)(=O)N(CC1=CC=C(C=C1)OC)CC1=CC=C(C=C1)OC
3
ClC1=C(C=CC=C1)NC1CCN(CC1)C(CNC(=O)C1=NNC(=C1)C1=C(C=CC=C1)OCC1=CC=CC=C1)=O>>ClC1=C(C=CC=C1)NC1CCN(CC1)C(CNC(=O)C1=NNC(=C1)C1=C(C=CC=C1)O)=O
5
C(=O)([O-])[O-].[Cs+].[Cs+].[OH:7][C:8]1[CH:13]=[CH:12][C:11]([CH2:14][C:15]([OH:17])=[O:16])=[CH:10][CH:9]=1.Cl[C:19]1[C:28]2[C:23](=[CH:24][C:25]([O:31][CH3:32])=[C:26]([O:29][CH3:30])[CH:27]=2)[N:22]=[CH:21][CH:20]=1>CS(C)=O.O>[CH3:30][O:29][C:26]1[CH:27]=[C:28]2[C:23](=[CH:24][C:25]=1[O:31][CH3:32])[N:22]=[CH:21][C...
2
C(C)(C)(C)[Si](C)(C)Cl.COC=1C=CC(=C(C1)CO)[N+](=O)[O-]>>C(C)(C)(C)[Si](C)(C)OCC1=C(C=CC(=C1)OC)[N+](=O)[O-]
5
[CH3:1][C:2]1[C:6]([Cr:8][CH:9]=[C:10]([CH3:14])[CH:11]=[CH:12][CH3:13])([CH3:7])[C:5]([CH3:15])=[C:4]([CH3:16])[C:3]=1[CH3:17].[CH3:18]C(C=C(C)C)=C[K]>>[CH3:1][C:2]1[C:6]([Cr:8][CH:9]=[C:10]([CH3:14])[CH:11]=[C:12]([CH3:18])[CH3:13])([CH3:7])[C:5]([CH3:15])=[C:4]([CH3:16])[C:3]=1[CH3:17]
1
C1(CCCC1)[C@H](C(=O)OCC1=CC=CC=C1)O>>C1(CCCC1)[C@H](C(=O)OCC1=CC=CC=C1)OS(=O)(=O)C(F)(F)F
5
C(C#C)[Si](C)(C)C.BrC1=C(C=C2C(=NC=3N(C2=C1)C=NN3)N(C3=CC=CC=C3)C)F>[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].C(C)(C)N(C(C)C)CC>FC=1C=C2C(=NC=3N(C2=CC1C#CC)C=NN3)N(C3=CC=CC=C3)C
3
[CH3:1][CH:2]([N:4]1[CH2:9][CH2:8][CH:7]([O:10][CH:11]2[CH2:16][CH2:15][N:14]([C:17]3[CH:18]=[CH:19][C:20]([C:23](O)=[O:24])=[N:21][CH:22]=3)[CH2:13][CH2:12]2)[CH2:6][CH2:5]1)[CH3:3].C(Cl)(=O)C(Cl)=O.[CH3:32][NH2:33].Cl>CN(C=O)C.C(Cl)Cl.C1COCC1>[CH3:32][NH:33][C:23]([C:20]1[CH:19]=[CH:18][C:17]([N:14]2[CH2:15][CH2:16][...
2
[CH2:1]([S:8][C:9]1[N:18]=[C:12]2[CH:13]=[N:14][CH:15]=[C:16](Br)[N:11]2[N:10]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH3:19][OH:20]>C[O-].[Na+]>[CH2:1]([S:8][C:9]1[N:18]=[C:12]2[CH:13]=[N:14][CH:15]=[C:16]([O:20][CH3:19])[N:11]2[N:10]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
1
CC1(C)C2C=C(C#CC3C=CC=CC=3C(O)=O)C=CC=2C(C2C=CC=CC=2)=CC1.[CH3:30][C:31]1([CH3:59])[C:40]2[CH:39]=[C:38]([C:41]#[C:42][C:43]3[CH:53]=[CH:52][C:46]([C:47]([O:49]CC)=[O:48])=[CH:45][CH:44]=3)[CH:37]=[CH:36][C:35]=2[C:34]([C:54]2[S:55][CH:56]=[CH:57][N:58]=2)=[CH:33][CH2:32]1>>[CH3:30][C:31]1([CH3:59])[C:40]2[CH:39]=[C:38...
1
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C(C)OC(C1=CC=C(C=C1)CNC)OCC>ClCCl>C(C)OC(C1=CC=C(C=C1)CN(C(OC(C)(C)C)=O)C)OCC
3
CC(C)(C)OC(=O)ON=C(C#N)C1=CC=CC=C1.NCC1=NOC(=N1)[C@@H](CC(=O)O)CCCC1CCCCC1>O.CCN(CC)CC.O1CCOCC1>C(C)(C)(C)OC(=O)NCC1=NOC(=N1)[C@@H](CC(=O)O)CCCC1CCCCC1
3
COC1=CC=CC(=N1)N>C(Cl)(Cl)(Cl)[H].ClN1C(CCC1=O)=O>ClC=1C(=NC(=CC1)OC)N
3
C1(=CC=CC=C1)O.C1(CCCCCCCCC(=O)O1)=O.C(=S)=S>[Al](Cl)(Cl)Cl>OC1=CC=C(C=C1)C(CCCCCCCCC(=O)O)=O
3
C1CCN[C@@H](C1)C(=O)O.FC1(CN(CC1)CCCOC=1C(=C(C=CC1)C1=C(C(=CC=C1)COC1=NC=C(C(=N1)OC)C=O)C)C)F>N(C)(C)C=O.CO[H].C(C)(=O)O.C(#N)[BH3-].[Na+]>FC1(CN(CC1)CCCOC=1C(=C(C=CC1)C1=C(C(=CC=C1)COC1=NC=C(C(=N1)OC)CN1[C@@H](CCCC1)C(=O)O)C)C)F
3
COCCBr.COC=1C=C(C=CC1[N+](=O)[O-])N1CCC(CC1)O>>COCCOC1CCN(CC1)C1=CC(=C(C=C1)[N+](=O)[O-])OC
5
CN1C(=NC=2C1=NC=C(C2)C(F)(F)F)C2=C(C=CC=C2)SC>>CS(=O)C1=C(C=CC=C1)C1=NC=2C(=NC=C(C2)C(F)(F)F)N1C
5
[CH3:1][N:2]1[C:10](=[O:11])[C:9]2[NH:8][C:7](/[CH:12]=[CH:13]/[C:14]3[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=3)=[N:6][C:5]=2[N:4]([CH3:20])[C:3]1=[O:21].[H][H]>CO.[Pd]>[CH3:1][N:2]1[C:10](=[O:11])[C:9]2[NH:8][C:7]([CH2:12][CH2:13][C:14]3[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=3)=[N:6][C:5]=2[N:4]([CH3:20])[C:3]1=[O:21]
2
C1COCCN1.ClCC1=NC=CC(=N1)N>CCN(CC)CC.CCO[H]>O1CCN(CC1)CC1=NC=CC(=N1)N
3
[Cl:1][C:2]1[N:11]=[C:10]2[C:5]([CH:6]=[CH:7][C:8](=[O:12])[NH:9]2)=[CH:4][CH:3]=1.CN(C=O)C.[H-].[Na+].CS(O[CH2:25][CH2:26][N:27]1[CH2:32][CH2:31][CH:30]([NH:33][C:34]([O:36][C:37]([CH3:40])([CH3:39])[CH3:38])=[O:35])[CH2:29][CH2:28]1)(=O)=O>FC1C=C2C(C=CC(=O)N2CCN2CCC(NCC3C=CC4OCC(=O)NC=4N=3)CC2)=CC=1.O>[Cl:1][C:2]1[N:...
2
BrCC(=O)Br.N=C1C(C=CC=C1)C=CC1=CC=CC=C1>O.C1CCCO1.C(Cl)(Cl)(Cl)[H].C([O-])([O-])=O.[Na+].[Na+].CCCCCC>BrCC(=O)N=C1C(C=CC=C1)C=CC1=CC=CC=C1
3
C(C)(=O)NCCO[C@H]([C@H]1CN(CCC1)C(=O)OC(C)(C)C)C1=C(C(=CC=C1)Cl)F>>ClC=1C(=C(C=CC1)[C@H](OCCNC(C)=O)[C@H]1CNCCC1)F
5
[F:1][C:2]1[CH:3]=[C:4]([CH2:9][C:10]([NH:12][C@H:13]([C:15]([OH:17])=O)[CH3:14])=[O:11])[CH:5]=[C:6]([F:8])[CH:7]=1.[NH2:18][CH:19]1[C:27]2[C:22](=[CH:23][CH:24]=[CH:25][CH:26]=2)[CH2:21][CH:20]1[OH:28]>>[F:8][C:6]1[CH:5]=[C:4]([CH2:9][C:10]([NH:12][C@H:13]([C:15]([C:19]2([NH2:18])[C:27]3[C:22](=[CH:23][CH:24]=[CH:25]...
1
C(#N)C1=C(C=CC=C1)C=1C(N(C=C(C1)[Sn](CCCC)(CCCC)CCCC)C1=CC=CC=C1)=O.C(C)(=O)OC=1C=CC(=NC1)Cl>c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C1(=CC=C(C=C1)C)C.C2=C(C=CC=C2C)C.C3=CC=CC(=C3C)C>C(C)(=O)OC=1C=CC(=NC1)C=1C=C(C(N(C1)C1=CC=...
3
[CH3:1][O:2][C:3]1[CH:31]=[CH:30][C:6]([CH2:7][N:8]2[CH:12]=[C:11]([C:13]3[CH:14]=[C:15]4[N:20]([C:21]5[CH:22]=[C:23]([CH:25]=[CH:26][C:27]=5[CH3:28])[NH2:24])[CH:19]=[C:18]([CH3:29])[N:16]4[N:17]=3)[CH:10]=[N:9]2)=[CH:5][CH:4]=1.[C:32]([C:34]1[CH:35]=[C:36]([CH:40]=[C:41]([S:43]([F:48])([F:47])([F:46])([F:45])[F:44])[...
1
C(C)(=O)O[C@@H](C)\C=C/C(=O)N[C@H]1[C@H](O[C@H]([C@H](C1)C)C\C=C(\C=C\[C@@H]1[C@H]([C@]2(CO2)C[C@H](O1)CC(=O)NO)O)/C)C>N(C)(C)C=O.C1CCCO1.C(C)(C)N(C(C)C)CC.Cl.NO>C(C)(=O)O[C@@H](C)\C=C/C(=O)N[C@H]1[C@H](O[C@H]([C@H](C1)C)C\C=C(\C=C\[C@@H]1[C@H]([C@]2(CO2)C[C@H](O1)CC(=O)NCCO)O)/C)C
3
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[C:9]([O:24][CH2:25][CH2:26][O:27][CH3:28])=[N:10][CH:11]=[C:12]([CH:23]=2)[C:13]([NH:15][C@@H:16]2[CH2:21][CH2:20][CH2:19][CH2:18][C@H:17]2[OH:22])=[O:14])=[CH:4][CH:3]=1.[H-].[Na+].[CH3:31]I>C1COCC1>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2[C:9]([O:24][CH2:25][CH2:26][O:27][CH3:28])=[...
1
[C:1]([O:9][C:10]1[C:15](=[O:16])[NH:14][C:13]([C:17]([C:20](OCC2C=CC=CC=2)=O)([CH3:19])C)=[N:12][C:11]=1[C:30]([O:32][CH2:33][CH3:34])=[O:31])(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH3:35][CH2:36][N:37](C(C)C)C(C)C.ClCC(Cl)=[O:47].C([O-])([O-])=O.[K+].[K+]>CO.CN(C=O)C.[Pd]>[C:1]([O:9][C:10]1[C:15](=[O:16])[...
1
C(C1=CC=CC=C1)[C@H]1N(C(OC1)=O)C([C@@H](C(C)C)CC1=CC=C2C=NN(C2=C1)CCCOC)=O>O(O[H])[H].O.C1CCCO1.[OH-].[Li+]>COCCCN1N=CC2=CC=C(C=C12)C[C@@H](C(=O)O)C(C)C
3
Cl.COC1=CC2=C(N=C(S2)N[C@@H]2CNCCC2)C=C1>>C(C)S(=O)(=O)N1C[C@H](CCC1)NC=1SC2=C(N1)C=CC(=C2)OC
5
BrCC(=O)C1=CC=C(C=C1)SC>CCO[H].C(C)(=O)O.[N-]=[N+]=[N-].[Na+]>N(=N)CC(=O)C1=CC=C(C=C1)SC
3
[CH:1]1[C:6]([C:7]2[CH:12]=[CH:11][C:10]3[C:13]([O:15][C:16](=[O:17])[C:9]=3[CH:8]=2)=[O:14])=[CH:5][C:4]2[C:18]([O:20][C:21](=[O:22])[C:3]=2[CH:2]=1)=[O:19].C1(C2C=CC(C(O)=O)=C(C(O)=O)C=2)C=CC(C(O)=O)=C(C(O)=O)C=1>[Fe].CN1CCCC1=O>[CH:12]1[C:7]2[C:6]3[CH:1]=[CH:2][C:3]4[C:21]([O:20][C:18](=[O:19])[C:10](=[C:9]([C:16](=...
2
[CH:1]1[C:6]([C@@H:7](O)[C@H:8]([NH:11]C(C(Cl)Cl)=O)[CH2:9][OH:10])=[CH:5][CH:4]=[C:3]([N+]([O-])=O)[CH:2]=1.CC(S[C@@H]1[O:30][C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C>>[NH2:11][C@H:8]([C:9]([OH:10])=[O:30])[CH2:7][C:6]1[CH:1]=[CH:2][CH:3]=[CH:4][CH:5]=1
1
N1C2=C(C=CC1)CN(C2)C(=O)OCC>Cl>Cl.Cl.N1=C2C(=CC=C1)CNC2
3