Datasets:
Derify
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ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
[Br:1][C:2]1[C:10]2[C:9](=[O:11])[NH:8][N:7]=[CH:6][C:5]=2[S:4][CH:3]=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.N(/C(OCC)=O)=N\C(OCC)=O.[S:43]1[C:51]2[C:46](=[N:47][C:48]([CH2:52][CH2:53]O)=[CH:49][CH:50]=2)[CH:45]=[CH:44]1>C1COCC1>[Br:1][C:2]1[C:10]2[C:9](=[O:11])[N:8]([CH2:53][CH2:52][C:48]3[N:47]=[C:46]4[CH:45]=[CH:4...
1
[Cl:1][C:2]1[C:3]([O:12][C:13]2[CH:14]=[N:15][C:16]([F:20])=[C:17]([Cl:19])[CH:18]=2)=[CH:4][C:5]([F:11])=[C:6]([CH:10]=1)[C:7](O)=[O:8].Cl.CN(C)CCCN=C=NCC.[CH3:33][S:34]([NH2:37])(=[O:36])=[O:35]>CN(C)C1C=CN=CC=1.C(Cl)Cl>[Cl:1][C:2]1[C:3]([O:12][C:13]2[CH:14]=[N:15][C:16]([F:20])=[C:17]([Cl:19])[CH:18]=2)=[CH:4][C:5](...
1
FC1=CC=C(C=C1)C1=NN(C(=N1)C1=CC=C(C=C1)F)CC(=O)N1CCN(CC1)C1=NC=NC(=C1)Cl.CNCC1COCC1>>FC1=CC=C(C=C1)C1=NN(C(=N1)C1=CC=C(C=C1)F)CC(=O)N1CCN(CC1)C1=NC=NC(=C1)N(CC1COCC1)C
5
ON1C(C=2C(C1=O)=CC=CC2)=O>>C(C)(C)ON1C(C2=CC=CC=C2C1=O)=O
5
NC1=C(C(=NN1C(C)(C)C)C)C#N>O(O[H])[H].CCO[H].[OH-].[Na+].CS(=O)C>NC1=C(C(=NN1C(C)(C)C)C)C(=O)N
3
C1=C(OC=C(C1=O)O)CO>ClCCl.ClS(Cl)=O.CCO[H]>ClCC=1OC=C(C(C1)=O)O
3
ClCC1=CC=C(C(=O)O)C=C1.N1CCNCCCNCCNCCC1>>N1(CCNCCCNCCNCCC1)CC1=CC=C(C(=O)O)C=C1
5
C(C)C1=NC(=CC=C1)OC>C(C)(=O)O.Br>C(C)C1=NC(=CC=C1)O
3
[CH3:1][N:2]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][N:9]=2)[CH:4]=[C:3]1[CH2:11][O:12][C:13]1[CH:45]=[CH:44][C:16]([CH2:17][CH:18]2[S:22][C:21](=[O:23])[N:20](C(C3C=CC=CC=3)(C3C=CC=CC=3)C3C=CC=CC=3)[C:19]2=[O:43])=[CH:15][CH:14]=1.C(O)(=O)C.O>O1CCOCC1>[CH3:1][N:2]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][N:9]=2)[CH:4]=[C:3]1[CH2:1...
1
BrC1=NC(=NN1COCC[Si](C)(C)C)C1CC1.NC=1C=C(C=CC1N([C@@H]1CC[C@@H](CC1)OC)CC(C)C)[C@@H](CC(=O)OC)C>C1(=CC=CC=C1)C.C1(=CC=CC=C1)P(C1=CC=CC=2C(C3=CC=CC(=C3OC12)P(C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C1=CC=CC=C1.C(=O)([O-])[O-].[Cs+].[Cs+].C(C1=CC=CC=C1)=CC(=O)C=CC1=CC=CC=C1>C1(CC1)C1=NN(C(=N1)NC=1C=C(C=CC1N([C@@H]1CC[C@@H](CC1)OC)...
3
[ClH:1].CC(C)=O.[OH:6][C:7]1[CH:12]=[C:11]([CH3:13])[CH:10]=[CH:9][C:8]=1[NH:14][C:15](=[O:26])[CH2:16][CH2:17][NH:18]C(OC(C)(C)C)=O>CCOCC>[ClH:1].[OH:6][C:7]1[CH:12]=[C:11]([CH3:13])[CH:10]=[CH:9][C:8]=1[NH:14][C:15](=[O:26])[CH2:16][CH2:17][NH2:18]
1
[CH2:1]([NH:8][C:9]([C:11]1[CH:20]=[CH:19][C:18]2[C:13](=[CH:14][CH:15]=[N:16][CH:17]=2)[N:12]=1)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.N1C2C(=CN=CC=2)C=C[C:22]=1C(O)=O.O.ON1C2C=CC=CC=2N=N1.C(N)C1C=CC=CC=1.Cl.CN(C)CCCN=C=NCC>CCOC(C)=O.CN(C=O)C.C1COCC1>[CH3:22][C:7]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[CH2:1][NH:...
1
C1(=CC=CC=C1)[C@@H](C)NCC(=O)OC>O.[OH-].[K+]>C1(=CC=CC=C1)[C@@H](C)NCC(=O)O
3
CC1=CN(C2=NC=CC(=C21)N2C=NC(=C2)C2=CC=CC=C2)COCC[Si](C)(C)C>>CC1=CNC2=NC=CC(=C21)N2C=NC(=C2)C2=CC=CC=C2
5
OCCN(C(=O)C1=NC(=NC(=C1OCC1=CC=CC=C1)O)CC1=NC=CC=C1C1=CC=CC=C1)C(C)C>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.ClCCl>C(C1=CC=CC=C1)OC1=C2N(C(=NC1=O)CC1=NC=CC=C1C1=CC=CC=C1)CCN(C2=O)C(C)C
3
C1(=CC=CC=C1)C(CC=CCCCC(=O)OCC)(C1=CC=CC=C1)C1=CC=CC=C1>CCO[H].[HH].[Pd]C>C1(=CC=CC=C1)C(CCCCCCC(=O)OCC)(C1=CC=CC=C1)C1=CC=CC=C1
3
C[C@H](C(F)(F)F)NC=1SC=C(N1)C1=CC=C(C#N)C=C1.C[C@H](C(F)(F)F)NC=1SC=C(N1)C1=CC=C(CN)C=C1>>C(C1=CC=CC=C1)(=O)NC(=S)N[C@@H](C(F)(F)F)C
5
N1C=NC=C1C1=CC=CC=2[C@@H](CCOC21)CN(C(OC(C)(C)C)=O)C>O.ClCCl.Cl.O1CCOCC1>Cl.N1C=NC=C1C1=CC=CC=2[C@@H](CCOC21)CNC
3
C1(=CC=CC=C1)[Mg]Br.ClC1=CC2=C(NC(=N2)C(C(F)(F)F)=O)C=C1Cl>C1CCCO1.ClCCl>ClC1=CC2=C(NC(=N2)C(C(F)(F)F)(O)C2=CC=CC=C2)C=C1Cl
3
[C:1]1([OH:12])[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[C:4]([OH:11])=[CH:3][CH:2]=1.OC1C2C(=CC=CC=2)C(O)=CC=1C>>[C:4]1(=[O:11])[C:5]2[C:10](=[CH:9][CH:8]=[CH:7][CH:6]=2)[C:1](=[O:12])[CH:2]=[CH:3]1
1
C(OC([N:8]1[CH2:12][CH2:11][CH2:10][CH:9]1[C:13]1[NH:14][C:15]([C:18]2[CH:31]=[CH:30][C:29]3[C:28]4[C:23](=[CH:24][C:25]([Br:32])=[CH:26][CH:27]=4)[CH2:22][CH2:21][C:20]=3[CH:19]=2)=[CH:16][N:17]=1)=O)(C)(C)C.Cl.[CH3:34][O:35][C:36]([NH:38][CH:39]([CH:43]([CH3:45])[CH3:44])[C:40](O)=[O:41])=[O:37].CN(C(ON1N=NC2C=CC=NC1...
1
N1=C(C=CC=C1)CN.ClC1=C(C=NC2=CC(=C(C=C12)OC)C=1C(=NOC1C)C)[N+](=O)[O-]>CC#N>CC1=NOC(=C1C1=C(C=C2C(=C(C=NC2=C1)[N+](=O)[O-])NCC1=NC=CC=C1)OC)C
3
[N:1]([O-])=O.[Na+].[NH2:5][C:6]1[CH:7]=[CH:8][C:9]([O:12][CH3:13])=[N:10][CH:11]=1.[CH3:14][O:15][C:16](=[O:39])[CH:17]([NH:22][C:23]([C:25]1[CH:30]=[CH:29][C:28]([O:31][CH2:32][C:33]2[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=2)=[CH:27][N:26]=1)=O)C(OC)=O.C(=O)([O-])[O-].[K+].[K+]>O.C(O)(=O)C.Cl.CC(C)=O.C(OCC)(=O)C>[CH3:1...
2
ClC=1C=C(CCNC2=NC=C(C(=N2)N[C@H]2C([C@@H](C2)NC(OC(C)(C)C)=O)(C)C)C#N)C=CC1>>N[C@H]1C([C@@H](C1)NC1=NC(=NC=C1C#N)NCCC1=CC(=CC=C1)Cl)(C)C
5
C(C=C)NC.C(C)(C)(C)OC(=O)N1CCCC2=CC(=CC=C12)OCCCCCBr>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(C)(C)(C)OC(=O)N1CCCC2=CC(=CC=C12)OCCCCCN(C)CC=C
3
[Br:1][C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[CH:4][C:3]=1[CH3:9].C1C(=O)N([Br:17])C(=O)C1>C(Cl)(Cl)(Cl)Cl.C(OOC(=O)C1C=CC=CC=1)(=O)C1C=CC=CC=1>[Br:1][C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[CH:4][C:3]=1[CH2:9][Br:17]
1
BrC=1C(=CN2C=CC=CC12)F.IC1=CC(=C(C(=O)OC)C=C1)OCOC>>BrC=1C(=C(N2C=CC=CC12)C1=CC(=C(C(=O)OC)C=C1)OCOC)F
5
[Br:1][C:2]1[CH:3]=[CH:4][C:5]([O:24][CH3:25])=[C:6]([S:8]([NH:11][C@@H:12]2[CH2:16][CH2:15][N:14]([C:17](OC(C)(C)C)=O)[CH2:13]2)(=[O:10])=[O:9])[CH:7]=1.C([O-])([O-])=O.[K+].[K+].[CH2:32](Br)[C:33]1[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=1.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.CC[N:61](C(C)C)C(C)C.BrC#N.C(O)C(N)(CO)CO>...
2
[Cl-].CO[C:4]1[CH:29]=[CH:28][C:7]([CH2:8][P+](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=[CH:6][CH:5]=1.[CH3:30][O-].[Na+].N1[CH:38]=[CH:37][CH:36]=[CH:35][C:34]=1[CH:39]=O>CO>[C:34]1(/[CH:39]=[CH:8]/[C:7]2[CH:6]=[CH:5][CH:4]=[CH:29][CH:28]=2)[CH:30]=[CH:38][CH:37]=[CH:36][CH:35]=1
1
[N+:1]([C:4]1[CH:5]=[C:6]([C:12]2[O:13][C:14]3[CH:20]=[CH:19][C:18](Br)=[CH:17][C:15]=3[N:16]=2)[CH:7]=[CH:8][C:9]=1[O:10][CH3:11])([O-:3])=[O:2].[Cl:22][C:23]1[CH:28]=[C:27]([Cl:29])[CH:26]=[CH:25][C:24]=1B(O)O>>[N+:1]([C:4]1[CH:5]=[C:6]([C:12]2[O:13][C:14]3[CH:20]=[CH:19][C:18]([C:26]4[CH:25]=[CH:24][C:23]([Cl:22])=[...
1
C(O)CCC.[N-:6]=[N+:7]=[N-:8].[Na+].[CH2:10]([C:12]1[S:16][C:15](=[NH:17])[N:14]([CH2:18][C:19]2[CH:24]=[CH:23][C:22]([C:25]3[CH:30]=[CH:29][CH:28]=[CH:27][C:26]=3[C:31]#[N:32])=[CH:21][CH:20]=2)[N:13]=1)[CH3:11].S(=O)(=O)(O)O>[Cl-].[Zn+2].[Cl-].C(Cl)(Cl)Cl>[CH2:10]([C:12]1[S:16][C:15](=[NH:17])[N:14]([CH2:18][C:19]2[CH...
1
[N+](=O)([O-])C1=C(C=CC=C1)F.C(C)OC(CC1CCNCC1)=O>>C(C)OC(CC1CCN(CC1)C1=C(C=CC=C1)[N+](=O)[O-])=O
5
[CH2:1]([N:4]([CH2:21][CH:22]=[CH2:23])[CH:5]1[CH2:9][CH:8]([O:10][CH2:11][C:12]2[CH:17]=[CH:16][C:15]([O:18][CH3:19])=[CH:14][CH:13]=2)[CH2:7][CH:6]1O)[CH:2]=[CH2:3].C([N:26](CC)CC)C.CS(Cl)(=O)=O.[OH-].[NH4+]>CC(OC)(C)C>[CH3:19][O:18][C:15]1[CH:16]=[CH:17][C:12]([CH2:11][O:10][CH:8]2[CH2:9][CH:5]([N:4]([CH2:21][CH:22]...
1
[C:1]1([C:7]2([C:13]3[CH:18]=[CH:17][C:16]([OH:19])=[CH:15][CH:14]=3)[CH2:12][CH2:11][CH2:10][CH2:9][CH2:8]2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[NH:20]([C:28]([O:30][C:31]([CH3:34])([CH3:33])[CH3:32])=[O:29])[C@H:21]([C:25](O)=[O:26])[CH:22]([CH3:24])[CH3:23].CC(C)N=C=NC(C)C>C1COCC1.CN(C1C=CN=CC=1)C>[C:1]1([C:7]2([C:13...
1
NC1=CC=C(C=N1)/C=C/C(=O)NCC1=CC2=C(S1)C(=CC(=C2)C2=NC=C(C(=O)O)C=C2)C(F)(F)F.Cl.FC(C1(CCNCC1)O)(F)F>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>NC1=CC=C(C=N1)/C=C/C(=O)NCC1=CC2=C(S1)C(=CC(=C2)C2=NC=C(C=C2)C(=O)N2CCC(CC2)(C(F)(F)F)O)C(F)(F)F
3
[C:1](O)(=O)[CH3:2].C[SiH](C)C.[C:9]([BH3-])#N.[Na+].Cl.[NH:14]1[CH2:19][CH2:18][O:17][CH2:16][CH:15]1[C:20]([NH2:22])=[O:21]>CO>[CH:2]1([N:14]2[CH2:19][CH2:18][O:17][CH2:16][CH:15]2[C:20]([NH2:22])=[O:21])[CH2:1][CH2:9]1
1
COC1=CC(=NC(=N1)N1CCN(CC1)C)OCCOCCOCCOCCO>>IC=1C(=NC(=NC1OC)N1CCN(CC1)C)OCCOCCOCCOCCO
5
[CH3:1][C:2]1([CH3:11])[CH2:6][CH2:5][C:4]([CH3:8])([CH3:7])[CH:3]1[CH2:9]Br.[Mg].[C:13]([NH:20][C@@H:21]([CH:23]=O)[CH3:22])([O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[O:14]>CCOCC>[C:13]([NH:20][CH:21]([CH:23]=[CH:9][CH:3]1[C:2]([CH3:11])([CH3:1])[CH2:6][CH2:5][C:4]1([CH3:8])[CH3:7])[CH3:22])([O:15][C:16]([CH3:17])([C...
1
S1C(=CC=C1)C=O.N(=[N+]=[N-])CC(=O)OC>CO[H].C[O-].[Na+]>N(=[N+]=[N-])\C(\C(=O)OC)=C/C=1SC=CC1
3
FC=1C=C2C(=C(C(C2=CC1F)=CC1=CC=C(C=C1)S(=O)C)C)CC(=O)O>>FC=1C=C2C(=C(C(C2=CC1F)=CC1=CC=C(C=C1)S(=O)(=O)C)C)CC(=O)O
5
C(S[C:6]1[CH:7]=[C:8]2[C:13](=[CH:14][C:15]=1[O:16][CH3:17])[N:12]=[CH:11][N:10]=[C:9]2[NH:18][C:19]1[CH:20]=[CH:21][C:22]2[S:26][CH:25]=[N:24][C:23]=2[CH:27]=1)(C)(C)C.O[O:29][S:30]([O-:32])=O.[K+].[C:34]([O-])(O)=O.[Na+].[CH2:39]1[CH2:43]OC[CH2:40]1>O>[C:39]([S:30]([C:6]1[CH:7]=[C:8]2[C:13](=[CH:14][C:15]=1[O:16][CH3...
2
S([CH2:11][N:12]=C=O)(C1C=CC(C)=CC=1)(=O)=O.[CH3:15][O:16][C:17]1[CH:22]=[CH:21][C:20]([C:23]([CH3:27])([CH3:26])[CH:24]=O)=[CH:19][CH:18]=1.CO>COCCOC.O>[CH3:15][O:16][C:17]1[CH:22]=[CH:21][C:20]([C:23]([CH3:27])([CH3:26])[CH2:24][C:11]#[N:12])=[CH:19][CH:18]=1
1
C([SiH](CC)CC)C.[Br:8][C:9]1[C:17]([O:18][C:19]2[CH:24]=[CH:23][C:22]([O:25][CH3:26])=[C:21]([CH:27]([CH3:29])[CH3:28])[CH:20]=2)=[C:16]([Br:30])[CH:15]=[C:14]2[C:10]=1[CH2:11][CH2:12][C:13]2([CH2:32][C:33]([O:35][CH2:36][CH3:37])=[O:34])O>FC(F)(F)C(O)=O>[CH2:36]([O:35][C:33](=[O:34])[CH2:32][CH:13]1[C:14]2[C:10](=[C:9...
2
NC1CN(C1)C(=O)OC(C)(C)C.C(C1=CC=CC=C1)OC(=O)N1C(CCC1)C(NC=1SC=C(N1)C1=C(C=CC=C1)C(=O)O)=O>>C(C1=CC=CC=C1)OC(=O)N1C(CCC1)C(NC=1SC=C(N1)C1=CC=C(C=C1)C(NC1CN(C1)C(=O)OC(C)(C)C)=O)=O
5
C(C)OC(=O)C1=CC=NC2=CC=C(C=C12)OC>>OCC1=CC=NC2=CC=C(C=C12)OC
5
ClC1=NC=NC(=C1)C.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CC1(CCNCC1)N>>CC1(CCN(CC1)C1=NC=NC(=C1)C)N
5
C(C)SC1=C(C=CC(=C1)F)C1=NC=2C(=NC=C(C2)C(F)(F)F)N1C>C(Cl)(Cl)(Cl)[H].ClC=1C=C(C(=O)OO)C=CC1>C(C)S(=O)C1=C(C=CC(=C1)F)C1=NC=2C(=NC=C(C2)C(F)(F)F)N1C
3
[Br:1][C:2]1[CH:3]=[C:4]([OH:11])[C:5](/[CH:8]=[CH:9]\[CH3:10])=[N:6][CH:7]=1.C(=O)([O-])[O-].[K+].[K+].[CH2:18](I)[CH:19]=[CH2:20]>CN(C=O)C>[Br:1][C:2]1[CH:3]=[C:4]([O:11][CH2:20][CH:19]=[CH2:18])[C:5](/[CH:8]=[CH:9]\[CH3:10])=[N:6][CH:7]=1
2
COC(C1=C(C=C(C=C1)OC1=CC(=C(C=C1)C(C(C(F)(F)F)(O)C1=CC2=C(N(C(N2C)=O)C)C=C1)C)Cl)F)=O>C1CCCO1.CO[H].[OH-].[Li+]>ClC=1C=C(OC2=CC(=C(C(=O)O)C=C2)F)C=CC1C(C(C(F)(F)F)(O)C1=CC2=C(N(C(N2C)=O)C)C=C1)C
3
CS(=O)(=O)C1=CC=C(C=C1)O.ClC1=C2C(=NC(=C1)C1=CC=CC=3C(=NOC31)N)N(N=C2)C>>CN1N=CC=2C1=NC(=CC2OC2=CC=C(C=C2)S(=O)(=O)C)C2=CC=CC=1C(=NOC12)N
5
Br[C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([Br:8])[N:3]=1.[Li]CCCC.CN([CH:17]=[O:18])C>C1COCC1>[Br:8][C:4]1[CH:5]=[CH:6][CH:7]=[C:2]([CH:17]=[O:18])[N:3]=1
1
NC=1C=C2CCC(N(C2=CC1)CCN(C)C)=O>>CN(CCN1CCCC2=CC(=CC=C12)N)C
5
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([O:8][CH2:9][CH2:10][N:11]2[C:19](=[O:20])[C:18]3[N:17](CC=C)[C:16]([Cl:24])=[N:15][C:14]=3[N:13]([CH2:25][CH2:26][CH2:27][CH3:28])[C:12]2=[O:29])=[CH:4][CH:3]=1.C1([SiH3])C=CC=CC=1>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=...
2
ClS(=O)(=O)C1=CC2=C(N=CS2)C=C1>>[Na+].S1C=NC2=C1C=C(C=C2)S(=O)[O-]
5
[C@@H]1([C@H](O)[C@H](O)[C@@H](CO)O1)N1C=NC=2C(N)=NC=NC12>CC#N.ClS(Cl)=O.c1ccncc1>ClC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC=2C(N)=NC=NC12)O)O
3
FC=1C(=NC=CC1)CNC(=O)C=1N=C(OC1)C=C.Cl.Cl.ClC=1C=C(C=CC1)N1C(=NC2=C1C=CC=C2)CCN>O.Cl.[OH-].[Na+]>ClC=1C=C(C=CC1)N1C(=NC2=C1C=CC=C2)CCNCCC=2OC=C(N2)C(=O)NCC2=NC=CC=C2F
3
Cl.[O:2]1[C:10]2[CH2:9][CH2:8][NH:7][CH2:6][C:5]=2[CH:4]=[CH:3]1.[F:11][C:12]([F:35])([F:34])[C:13]1[CH:14]=[C:15](/[CH:23]=[CH:24]\[C:25]2[CH:30]=[CH:29][C:28]([C:31](O)=[O:32])=[CH:27][CH:26]=2)[CH:16]=[C:17]([C:19]([F:22])([F:21])[F:20])[CH:18]=1.[CH2:36]([N:38]([CH2:41]C)[CH2:39]C)C.C(P(=O)(OCC)OCC)#N.CNC.C=O>ClCCl...
1
ClC1=CC=C(CN)C=C1.NC1=C(C(=O)O)C=C(C=C1F)Cl>ClCCl.CCN(CC)CC.CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC>NC1=C(C(=O)NCC2=CC=C(C=C2)Cl)C=C(C=C1F)Cl
3
O.OCC(CO)OCN1C=2N=C(NC(C2N=C1)=O)N>N(C)(C)C=O.C(C)OCC.c1ccncc1.C(C)(=O)OC(C)=O>C(C)(=O)OCC(COC(C)=O)OCN1C=2N=C(NC(C2N=C1)=O)N
3
COC(C(CO[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C)(C)C)=O>C1CCCO1.Cl.[OH-].[Na+]>[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OCC(C(=O)O)(C)C
3
C1(CC1)N.ClC1=CC(=C(C=C1F)[N+](=O)[O-])F>O.C(C)NCC>ClC=1C(=CC(=C(C1)NC1CC1)[N+](=O)[O-])F
3
C(C)(=O)C1=C(C=C(C(=C1OC)OC)OC)CC(=O)OC>CO[H].ClCCl.B(Br)(Br)Br>C(C)(=O)C1=C(C=C(C(=C1O)O)O)CC(=O)OC
3
C(C)(C)(C)C1=CC=C(C=C1)B(O)O.COC(C1=C(C=C(C=C1)I)F)=O>>C(C)(C)(C)C1=CC=C(C=C1)C1=CC(=C(C(=O)OC)C=C1)F
5
[NH2:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[N:7]([CH2:11][C:12](=[N:25][O:26][CH3:27])[CH2:13][O:14][C:15]1[CH:20]=[CH:19][CH:18]=[C:17]([C:21]([F:24])([F:23])[F:22])[CH:16]=1)[C:6](=[O:28])[C:5]2=[O:29]>C(Cl)Cl>[CH2:6]([N:7]([CH3:11])[CH:8]=[N:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[N:7]([CH2:11][C:12](=[N:...
2
C(C)OC(NC(CC=1C=C2CCN(C2=C(C1)C#N)CCCO[Si](C)(C)C(C)(C)C)C)=O>>C(C)OC(NC(CC=1C=C2CCN(C2=C(C1)C(N)=O)CCCO[Si](C)(C)C(C)(C)C)C)=O
5
C(CO)O.FC1=CC=C(C=C1)C(=O)C1=NC2=CC=CC=C2C(=C1)NC1=NNC(=C1)C>>FC1=CC=C(C=C1)C1(OCCO1)C1=NC2=CC=CC=C2C(=C1)NC1=NNC(=C1)C
5
C(C1C=C(C(O)=O)SC=1C=O)C.[CH2:13]([C:15]1[CH:30]=[C:29]([C:31]2[N:35]=[C:34]([C:36]3[S:37][C:38]([CH:43]=[O:44])=[C:39]([CH3:42])[C:40]=3[CH3:41])[O:33][N:32]=2)[CH:28]=[C:27]([CH3:45])[C:16]=1[O:17][CH2:18][C@@H:19]([OH:26])[CH2:20][NH:21][C:22](=[O:25])[CH2:23][OH:24])[CH3:14]>>[CH2:13]([C:15]1[CH:30]=[C:29]([C:31]2[...
1
BrC1=CC=C(C(=N1)C#N)O>N(C)(C)C=O.O.C([O-])([O-])=O.[K+].[K+].C(C)(=O)OCC.[I-].[Na+]>BrC1=CC=C(C(=N1)C#N)OC1CCOCC1
3
Br[C:2]1[CH:3]=[C:4]2[C:9](=[N:10][CH:11]=1)[NH:8][C:7](=[O:12])[CH2:6][CH2:5]2.[CH2:13]([Sn](CCCC)(CCCC)C=C)[CH2:14]CC>CN(C=O)C.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>[CH:13]([C:2]1[CH:3]...
1
[Cl-].[Cl:2][C:3]1[CH:13]=[CH:12][C:6]([CH2:7][NH2+:8][CH2:9][CH2:10]Cl)=[CH:5][CH:4]=1.[C:14]([C:16]1[CH:21]=[CH:20][C:19]([N:22]=[C:23]=[S:24])=[C:18]([CH2:25][CH3:26])[CH:17]=1)#[N:15]>>[C:14]([C:16]1[CH:21]=[CH:20][C:19]([N:22]=[C:23]2[N:8]([CH2:7][C:6]3[CH:12]=[CH:13][C:3]([Cl:2])=[CH:4][CH:5]=3)[CH2:9][CH2:10][S:...
1
[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][CH:12]=1)[N:9]=[CH:8][C:7]([N+:13]([O-])=O)=[CH:6]2.[H][H]>CCOC(C)=O.[Pd]>[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][CH:12]=1)[N:9]=[CH:8][C:7]([NH2:13])=[CH:6]2
1
[Cl:1][C:2]1[N:7]=[CH:6][C:5]([CH2:8][O:9][C:10]2[CH:11]=[CH:12][C:13]3[O:17][C:16]([CH:18]([NH:25][C:26]4[CH:31]=[CH:30][C:29]([C:32]([NH:34][CH2:35][CH2:36][C:37]([O:39]CC)=[O:38])=[O:33])=[CH:28][CH:27]=4)[CH:19]4[CH2:24][CH2:23][CH2:22][CH2:21][CH2:20]4)=[C:15]([CH3:42])[C:14]=3[CH:43]=2)=[CH:4][CH:3]=1.[OH-].[Na+]...
1
CC(C#C)O.IC=1N=CN2C1CN(C(C1=C2C=CC=C1)=O)C>[Cu]I.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].ClCCCl.C(C)NCC>OC(C#CC=1N=CN2C1CN(C(C1=C2C=CC=C1)=O)C)C
3
[C-]#N.[Na+].BrC1=CC(=C(C(=O)OC)C=C1)CBr>O.CS(=O)C>BrC1=CC(=C(C(=O)OC)C=C1)CC#N
3
CC1=CC=CC(N1)=O>CC#N.BrN1C(CCC1=O)=O>BrC=1C(NC(=C(C1)Br)C)=O
3
C(Cl)(=O)C(Cl)=O.CS(C)=O.[CH3:11][C:12]1([CH3:34])[CH2:21][CH2:20][C:19]([CH3:23])([CH3:22])[C:18]2[CH:17]=[C:16]([C:24]#[C:25][C:26]3[CH:31]=[CH:30][C:29]([CH2:32][OH:33])=[CH:28][N:27]=3)[CH:15]=[CH:14][C:13]1=2.C(N(CC)CC)C>C(Cl)Cl>[CH3:11][C:12]1([CH3:34])[CH2:21][CH2:20][C:19]([CH3:22])([CH3:23])[C:18]2[CH:17]=[C:1...
1
ClC1=NC=NC(=C1)C(C)(C)C>N>NC1=CC(=NC=N1)C(C)(C)C
3
[C:1]([C:5]1[N:10]=[C:9]([N:11]2[CH2:16][CH2:15][NH:14][CH2:13][CH2:12]2)[CH:8]=[C:7]([C:17]2([CH3:20])[CH2:19][CH2:18]2)[N:6]=1)([CH3:4])([CH3:3])[CH3:2].C(N(CC)CC)C.C(=O)([O-])[O-].[K+].[K+].Br[CH2:35][CH2:36][CH2:37][Cl:38]>CN(C)C=O>[C:1]([C:5]1[N:10]=[C:9]([N:11]2[CH2:12][CH2:13][N:14]([CH2:35][CH2:36][CH2:37][Cl:3...
1
[Cl:1][C:2]1[N:7]=[C:6]([Cl:8])[C:5]([CH:9]([C:11]2[C:16]([O:17][CH3:18])=[CH:15][CH:14]=[C:13]([F:19])[C:12]=2[F:20])[OH:10])=[CH:4][N:3]=1.C(=O)(O)[O-].[Na+].CC1(C)N([O])C(C)(C)CCC1.Cl[O-].[Na+]>ClCCl.[Br-].C([N+](CCCC)(CCCC)CCCC)CCC.O>[Cl:1][C:2]1[N:7]=[C:6]([Cl:8])[C:5]([C:9]([C:11]2[C:16]([O:17][CH3:18])=[CH:15][C...
1
C[C:2]1[CH:7]=[C:6](C2N=C(C)ON=2)[CH:5]=[CH:4][C:3]=1[C:14]1[CH:19]=[CH:18][C:17](C(O)=O)=[CH:16][CH:15]=1.C([N:25](CC)CC)C.CS(Cl)(=O)=O.C[N:36]([CH:38]=[O:39])C>C1COCC1>[NH2:25][C:6]1[CH:5]=[CH:4][C:3]([C:14]2[CH:19]=[CH:18][C:17]([C:38]([NH2:36])=[O:39])=[CH:16][CH:15]=2)=[CH:2][CH:7]=1
2
FC1=C(C(=O)N)C=CC(=C1)F>COC(N(C)C)OC>CN(\C=N\C(C1=C(C=C(C=C1)F)F)=O)C
3
C(C)(C)(C)OC(=O)N[C@@H](CC1=NC=CC=C1)C(=O)O.Cl.COC=1C=C(C=CC1OC)C1=NN(C([C@@H]2CCCC[C@H]12)=O)C1CCNCC1>>COC=1C=C(C=CC1OC)C1=NN(C([C@@H]2CCCC[C@H]12)=O)C1CCN(CC1)C([C@H](CC1=NC=CC=C1)NC(OC(C)(C)C)=O)=O
5
[C:1]([OH:5])(=[O:4])[CH:2]=[CH2:3].[CH3:6][C:7](=[CH:9][CH2:10][CH2:11][CH:12]([CH2:14][CH2:15]O)[CH3:13])[CH3:8].C1(C)C=CC(S(O)(=O)=O)=CC=1>C1(C)C=CC=CC=1>[C:1]([O:5][CH2:15][CH2:14][CH:12]([CH2:11][CH2:10][CH:9]=[C:7]([CH3:8])[CH3:6])[CH3:13])(=[O:4])[CH:2]=[CH2:3]
1
C(C)(C)(C)OC(=O)N1CC(NC(C1)=O)(C(F)F)C1=C(C=CC(=C1)Br)F>>C(C)(C)(C)OC(=O)N1CC(NC(C1)=S)(C(F)F)C1=C(C=CC(=C1)Br)F
5
CC(C)=CCC[C@H](C)CC=O>N(C)(C)C=O.[Cr](=O)(=O)([O-])O[Cr](=O)(=O)[O-].[NH+]1=CC=CC=C1.[NH+]1=CC=CC=C1>C[C@H](CC(=O)O)CCC=C(C)C
3
C(C)(=O)C=1C=C(C(=O)O)C=C(C1O)Br>>C(C)(=O)C=1C=C(C(=O)OC)C=C(C1O)Br
5
[CH:1]1([NH:7][NH:8]C(OC(C)(C)C)=O)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[ClH:16]>CCOCC>[ClH:16].[CH:1]1([NH:7][NH2:8])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1
2
BrC1=CC=CC2=C1C(N1[C@H](C=3N2C=NC3C(=O)OCC)CC1)=O>O.CCO[H].Cl.[OH-].[Na+]>BrC1=CC=CC2=C1C(N1[C@H](C=3N2C=NC3C(=O)O)CC1)=O
3
[CH2:1]([O:8][C:9]1[CH:18]=[C:17]2[C:12]([C:13](=O)[NH:14][CH:15]=[N:16]2)=[CH:11][C:10]=1[O:20][CH3:21])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.S(Cl)(Cl)=O.[OH:26][C:27]1[CH:28]=[C:29]([CH:31]=[CH:32][C:33]=1[CH3:34])[NH2:30]>CN(C=O)C>[CH2:1]([O:8][C:9]1[CH:18]=[C:17]2[C:12]([C:13]([NH:30][C:29]3[CH:31]=[CH:32][C:33]...
1
ClC=1C=C(C=CC1)[C@H]1OC1.OC=1C=C(C=CC1)[C@H]1C[C@@H](CCC1)N>>ClC=1C=C(C=CC1)[C@H](CN[C@H]1C[C@@H](CCC1)C1=CC(=CC=C1)O)O
5
CC1=C(C(=CC(=C1)C)C)NC(=O)NC=1C(=CC2=CC=CC=C2C1)C(=O)NC=1C=C(C=C(C1)C(=O)OC)C(=O)OC>O.O1CCOCC1.[OH-].[Li+]>CC1=C(C(=CC(=C1)C)C)NC(=O)NC=1C(=CC2=CC=CC=C2C1)C(=O)NC=1C=C(C=C(C1)C(=O)O)C(=O)O
3
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[C:17]3[C:12](=[CH:13][CH:14]=[C:15]([Cl:18])[CH:16]=3)[N:11]=[C:10]([N:19]([CH2:22][CH3:23])[CH2:20][CH3:21])[CH:9]=2)=[CH:4][CH:3]=1>O.C(O)C>[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]2[C:17]3[C:12](=[CH:13][CH:14]=[C:15]([Cl:18])[CH:16]=3)[N:11]=[C:10]([N:19]([CH2:22][CH3:23])[CH2:20...
1
C(C)(C)N=C=O.ClC=1C(=NNC1)C1=CC(=CC(=C1)Cl)Cl>N(C)(C)C=O.O.CCN(CC)CC>C(C)(C)NC(=O)N1N=C(C(=C1)Cl)C1=CC(=CC(=C1)Cl)Cl
3
Cl[C:2]1[C:11]2=[N:12][N:13](CC3C=CC(OC)=CC=3)[CH:14]=[C:10]2[C:9]2[C:8]([O:24][CH3:25])=[CH:7][CH:6]=[CH:5][C:4]=2[N:3]=1.[NH2:26][C:27]1[CH:32]=[CH:31][C:30]([N:33]2[CH2:38][CH2:37][N:36]([C:39](=[O:41])[CH3:40])[CH2:35][CH2:34]2)=[CH:29][CH:28]=1.Cl>CO.O1CCOCC1>[CH3:25][O:24][C:8]1[C:9]2[C:10]3[CH:14]=[N:13][NH:12][...
2
Cl[C:2]1[CH:7]=[C:6]([O:8][CH:9]([C:14]2[CH:19]=[CH:18][C:17]([C:20]3C=[CH:24][N:23]=[CH:22][CH:21]=3)=[CH:16][CH:15]=2)[C:10]([F:13])([F:12])[F:11])[N:5]=[C:4]([NH2:26])[N:3]=1.B([C:30]1[CH:41]=[CH:40][C:33]([CH2:34][C@@H:35]([C:37]([OH:39])=[O:38])[NH2:36])=[CH:32][CH:31]=1)(O)O.C(#[N:44])C.C(=O)([O-])[O-].[Na+].[Na+...
1
ClC=1C2=C(N=CN1)N(C=C2)COCC[Si](C)(C)C.C(C)OC(C)N1N=CC(=C1)B1OC(C(O1)(C)C)(C)C>>C(C)OC(C)N1N=CC(=C1)C=1C2=C(N=CN1)N(C=C2)COCC[Si](C)(C)C
5
C(C)(C)(C)C1=CC(=NO1)C(=O)O.NCC1=C(C=C(C=C1)C1=C2C(=NC=C1)N(N=C2C=2CN(CC2)C(=O)OC(C)(C)C)CC2=CC=C(C=C2)OC)F>ClCCl.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(C)(C)(C)C1=NC(=NO1)C(=O)NCC1=C(C=C(C=C1)C1=C2C(=NC=C1)N(N=C2C=2CN(CC2)C(=O)OC(C)(C)C)CC2=CC=C(C=C2)OC)F
3
CC(CC[C@H](NC(=O)C1=CC2=CC=CC=C2C=C1NC(=O)NC1=C(C=C(C=C1C)C)C)C(=O)OC)C>O.O1CCOCC1.O[Li].O>CC(CC[C@H](NC(=O)C1=CC2=CC=CC=C2C=C1NC(=O)NC1=C(C=C(C=C1C)C)C)C(=O)O)C
3
[CH3:1][C:2]1[CH:7]=[CH:6][N:5]=[C:4]([NH:8][C:9]2[CH:14]=[C:13]([C:15]3[N:16]=[N:17][N:18]([CH2:20][C:21]([CH3:23])=[CH2:22])[CH:19]=3)[CH:12]=[C:11]([CH3:24])[CH:10]=2)[N:3]=1.C[N+]1([O-])CC[O:29]CC1.C1COCC1.[OH2:38]>[Os](=O)(=O)(=O)=O>[CH3:22][C:21]([OH:29])([CH2:20][N:18]1[CH:19]=[C:15]([C:13]2[CH:14]=[C:9]([NH:8][...
2
C(C)OC(=O)N1C(CN(C2=CC(=CC=C12)Br)C(C(=O)OC)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)CC>C1(=CC=CC=C1)C.CNC.C[Al](C)C.C(C)(=O)OCC.ClCCl>C(C)OC(=O)N1C(CN(C2=CC(=CC=C12)Br)C(C(N(C)C)=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)CC
3