Dataset Viewer (First 5GB)
id
int64 0
3.49M
| contents
stringlengths 8
8.5k
| source
stringclasses 3
values |
|---|---|---|
0 | Reaction information for Cc1cccc(C)c1NC(=O)CN1CCN([C@@H]2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H](Cc3ccc(Cl)c(Cl)c3)C2)CC1
{'reactant': 'Cc1cccc(C)c1NC(=O)CN1CCN([C@@H]2CCN[C@@H](Cc3ccc(Cl)c(Cl)c3)C2)CC1.O=C(Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1', 'reagent': 'CCN(CC)CC.ClCCl', 'product': 'Cc1cccc(C)c1NC(=O)CN1CCN([C@@H]2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H](Cc3ccc(Cl)c(Cl)c3)C2)CC1', 'yield': '44.0%'} | uspto |
1 | Reaction information for COc1ccc2c(c1)C(=O)C(=O)N2CC(=O)O
{'reactant': 'COc1ccc2c(c1)C(=O)C(=O)N2CC(=O)OC(C)(C)C', 'reagent': 'ClCCl.O=C(O)C(F)(F)F', 'product': 'COc1ccc2c(c1)C(=O)C(=O)N2CC(=O)O', 'yield': '91.0%'} | uspto |
2 | Reaction information for CCCCCCCC/C=C\CCCCCCCC(=O)NCCC1CCCN1C
{'reactant': 'CCCCCCCC/C=C\\CCCCCCCC(=O)OC.CN1CCCC1CCN', 'reagent': 'Cc1ccccc1.Cl.[Na+].[OH-]', 'product': 'CCCCCCCC/C=C\\CCCCCCCC(=O)NCCC1CCCN1C', 'yield': '62.1%'} | uspto |
3 | Reaction information for COC(=O)c1nc(-c2cc([N+](=O)[O-])c(Cl)cc2F)cc(N)c1Cl
{'reactant': 'COC(=O)c1nc(-c2ccc(Cl)cc2F)cc(N)c1Cl.O=[N+]([O-])[O-]', 'reagent': 'O=S(=O)(O)O.[Na+]', 'product': 'COC(=O)c1nc(-c2cc([N+](=O)[O-])c(Cl)cc2F)cc(N)c1Cl', 'yield': '84.4%'} | uspto |
4 | Reaction information for Cc1ccc(-c2ccccc2N)cc1
{'reactant': 'Cc1ccc(B(O)O)cc1.Nc1ccccc1I', 'reagent': 'C1CCOC1.ClCCl.Cl[Pd]Cl.[Fe+2].[Na+].[OH-].c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1', 'product': 'Cc1ccc(-c2ccccc2N)cc1', 'yield': '78.0%'} | uspto |
5 | Reaction information for OCc1ccc(CNc2ccccc2)o1
{'reactant': 'CC(=O)OCc1ccc(CNc2ccccc2)o1', 'reagent': 'CO.Nc1ccccc1.O=C([O-])[O-].[K+].[K+]', 'product': 'OCc1ccc(CNc2ccccc2)o1', 'yield': '82.0%'} | uspto |
6 | Reaction information for COc1ccc(CCN(C)CCOc2ccc(N)cc2Br)cc1OC
{'reactant': 'COc1ccc(CCN(C)CCOc2ccc([N+](=O)[O-])cc2Br)cc1OC', 'reagent': 'Cl.Cl[Sn]Cl.O=C([O-])[O-].[K+].[K+]', 'product': 'COc1ccc(CCN(C)CCOc2ccc(N)cc2Br)cc1OC', 'yield': '89.5%'} | uspto |
7 | Reaction information for CCOc1cc(C(C)(O)C(=O)O)cnc1NC(=O)c1cc2cc(Cl)ccc2[nH]1
{'reactant': 'CCOC(=O)C(C)(O)c1cnc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c(OCC)c1', 'reagent': 'CCO.[Na+].[OH-]', 'product': 'CCOc1cc(C(C)(O)C(=O)O)cnc1NC(=O)c1cc2cc(Cl)ccc2[nH]1', 'yield': '16.9%'} | uspto |
8 | Reaction information for O=C1CCc2ccc(C(F)(F)F)c(F)c21
{'reactant': 'O=C(O)CCc1ccc(C(F)(F)F)c(F)c1', 'reagent': 'CCCCCC.CCOC(C)=O.O=S(=O)(O)Cl', 'product': 'O=C1CCc2ccc(C(F)(F)F)c(F)c21', 'yield': '58.9%'} | uspto |
9 | Reaction information for O=C(O)[C@@H]1C[C@H]1c1ccc(NCc2ccc(-c3ccccn3)cc2)cc1
{'reactant': 'Nc1ccc([C@@H]2C[C@H]2C(=O)O)cc1.O=Cc1ccc(-c2ccccn2)cc1', 'reagent': 'CC(=O)O[BH-](OC(C)=O)OC(C)=O.CC(Cl)Cl.ClCCl.O.[Na+]', 'product': 'O=C(O)[C@@H]1C[C@H]1c1ccc(NCc2ccc(-c3ccccn3)cc2)cc1', 'yield': '22.2%'} | uspto |
10 | Reaction information for Cc1cc(C#CC(C)(C)C)c(C)cc1N
{'reactant': 'C#CC(C)(C)C.Cc1cc(I)c(C)cc1N', 'reagent': 'C1CCOC1.CCN(CC)CC.CCOC(C)=O.I[Cu]I.O', 'product': 'Cc1cc(C#CC(C)(C)C)c(C)cc1N', 'yield': '76.1%'} | uspto |
11 | Reaction information for COC(=O)/C=C/c1ccc(C=C(C(=O)NC2CC2)c2ccc(F)cc2)cc1
{'reactant': 'COC(=O)/C=C/c1ccc(C=C(C(=O)O)c2ccc(F)cc2)cc1.NC1CC1', 'reagent': 'CCN(CC)CC.CCN=C=NCCCN(C)C.CCOC(C)=O.CN(C)C=O.On1nnc2ccccc21', 'product': 'COC(=O)/C=C/c1ccc(C=C(C(=O)NC2CC2)c2ccc(F)cc2)cc1', 'yield': '96.0%'} | uspto |
12 | Reaction information for Cc1cnc(Nc2cnn(C)c2)nc1NC1CCC2(CCNCC2)CC1
{'reactant': 'Cc1cnc(Nc2cnn(C)c2)nc1NC1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2', 'reagent': 'CCOC(C)=O.Cl.ClCCl', 'product': 'Cc1cnc(Nc2cnn(C)c2)nc1NC1CCC2(CCNCC2)CC1', 'yield': '32.0%'} | uspto |
13 | Reaction information for CCOC(=O)CCCCCNc1c(N)cnc2ccccc12
{'reactant': 'CCOC(=O)CCCCCNc1c([N+](=O)[O-])cnc2ccccc12', 'reagent': 'CC[n+]1ccc(-c2cc[n+](CC)cc2)cc1.O=C([O-])[O-].O=S([O-])S(=O)[O-].[Br-].[Br-].[K+].[K+].[Na+].[Na+]', 'product': 'CCOC(=O)CCCCCNc1c(N)cnc2ccccc12', 'yield': '97.4%'} | uspto |
14 | Reaction information for CS(=O)(=O)NCc1ccc2c(c1)S(=O)(=O)N=C(C1=C(O)[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3N(Cc3ccc(F)cc3)C1=O)N2
{'reactant': 'CS(=O)(=O)Cl.NCc1ccc2c(c1)S(=O)(=O)N=C(C1=C(O)[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3N(Cc3ccc(F)cc3)C1=O)N2', 'reagent': 'CCN(CC)CC.CCOC(C)=O.Cl.ClCCl.O.c1ccncc1', 'product': 'CS(=O)(=O)NCc1ccc2c(c1)S(=O)(=O)N=C(C1=C(O)[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3N(Cc3ccc(F)cc3)C1=O)N2', 'yield': '31.0%'} | uspto |
15 | Reaction information for CC(C)(C)OC(=O)N1CC(CO)C1
{'reactant': 'CC(C)(C)OC(=O)N1CC(C(=O)O)C1', 'reagent': 'B.C1CCOC1.CSC.Cl', 'product': 'CC(C)(C)OC(=O)N1CC(CO)C1', 'yield': '86.0%'} | uspto |
16 | Reaction information for CCCn1c(COCC)nc2c(N)nc3cc(OCCNC(=O)OC(C)(C)C)ccc3c21
{'reactant': 'CC(C)(C)OC(=O)NCCI.CCCn1c(COCC)nc2c(N)nc3cc(O)ccc3c21', 'reagent': 'O=C([O-])[O-].[Cs+].[Cs+]', 'product': 'CCCn1c(COCC)nc2c(N)nc3cc(OCCNC(=O)OC(C)(C)C)ccc3c21', 'yield': '45.2%'} | uspto |
17 | Reaction information for C/C(=C\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](C)C(C)(C)c1ccccc1)C(C)(C)C)C(=O)O
{'reactant': 'CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](C)C(C)(C)c1ccccc1)C(C)(C)C', 'reagent': 'C1CCOC1.CO.Cl.O.O.[Li+].[OH-]', 'product': 'C/C(=C\\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](C)C(C)(C)c1ccccc1)C(C)(C)C)C(=O)O', 'yield': '99.8%'} | uspto |
18 | Reaction information for Cc1oc(-c2ccccc2)nc1CCC(=NO)c1ccc(CCCC2OC(=O)NC2=O)cc1
{'reactant': 'Cc1oc(-c2ccccc2)nc1CCC(=O)c1ccc(CCCC2OC(=O)NC2=O)cc1.NO', 'reagent': 'CC(=O)[O-].CO.Cl.O.[Na+]', 'product': 'Cc1oc(-c2ccccc2)nc1CCC(=NO)c1ccc(CCCC2OC(=O)NC2=O)cc1', 'yield': '89.9%'} | uspto |
19 | Reaction information for NC(=O)c1c(F)ccc(OCc2nc(-c3ccc(O)cc3)no2)c1F
{'reactant': 'COc1ccc(-c2noc(COc3ccc(F)c(C(N)=O)c3F)n2)cc1', 'reagent': 'BrB(Br)Br.ClCCl.O', 'product': 'NC(=O)c1c(F)ccc(OCc2nc(-c3ccc(O)cc3)no2)c1F', 'yield': '65.0%'} | uspto |
20 | Reaction information for CCC(CC)Nc1ccccc1Br
{'reactant': 'CCC(=O)CC.Nc1ccccc1Br', 'reagent': 'Nc1ccc(Br)cc1.O=C1CCCCC1', 'product': 'CCC(CC)Nc1ccccc1Br', 'yield': '61.0%'} | uspto |
21 | Reaction information for O=C(CNc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)c1ccccc1
{'reactant': 'CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1NCC(=O)c1ccccc1', 'reagent': 'C1CCOC1.CCOC(C)=O.O.O.[Li+].[OH-]', 'product': 'O=C(CNc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)c1ccccc1', 'yield': '62.5%'} | uspto |
22 | Reaction information for COc1cc(/C(C)=N/OCc2ccc([N+](=O)[O-])cc2)ccc1O
{'reactant': 'COc1cc(C(C)=O)ccc1O.NOCc1ccc([N+](=O)[O-])cc1', 'reagent': 'Cl', 'product': 'COc1cc(/C(C)=N/OCc2ccc([N+](=O)[O-])cc2)ccc1O', 'yield': '55.1%'} | uspto |
23 | Reaction information for CCc1nc2cc(C(N)=O)c(Cl)cc2n1-c1ccc(CCOS(C)(=O)=O)cc1
{'reactant': 'CCc1nc2cc(C(N)=O)c(Cl)cc2n1-c1ccc(CCO)cc1.CS(=O)(=O)Cl', 'reagent': 'ClCCl.O', 'product': 'CCc1nc2cc(C(N)=O)c(Cl)cc2n1-c1ccc(CCOS(C)(=O)=O)cc1', 'yield': '49.9%'} | uspto |
24 | Reaction information for CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NN
{'reactant': 'COC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C.NN', 'reagent': 'CO.O', 'product': 'CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NN', 'yield': '65.1%'} | uspto |
25 | Reaction information for O=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2CCOCC2=O)CC1
{'reactant': 'O=C(O)[C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1.O=C1COCCN1C1CCNCC1', 'reagent': 'CCN=C=NCCCN(C)C.CN(C)C=O.On1nnc2ccccc21', 'product': 'O=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2CCOCC2=O)CC1', 'yield': '42.3%'} | uspto |
26 | Reaction information for N#Cc1ccc(CBr)c(C(F)(F)F)c1
{'reactant': 'Cc1ccc(C#N)cc1C(F)(F)F.O=C1CCC(=O)N1Br', 'reagent': 'ClC(Cl)(Cl)Cl.O=C(OOC(=O)c1ccccc1)c1ccccc1', 'product': 'N#Cc1ccc(CBr)c(C(F)(F)F)c1', 'yield': '86.1%'} | uspto |
27 | Reaction information for COc1cnc2ccc(F)c(C(CO)CN3CCC(NC(=O)OC(C)(C)C)CC3)c2n1
{'reactant': 'COC(=O)C(CN1CCC(NC(=O)OC(C)(C)C)CC1)c1c(F)ccc2ncc(OC)nc12', 'reagent': 'C1CCOC1.CC#N.CCOC(C)=O.O.O=C=O.[Al+3].[H-].[H-].[H-].[H-].[Li+].[Na+].[OH-]', 'product': 'COc1cnc2ccc(F)c(C(CO)CN3CCC(NC(=O)OC(C)(C)C)CC3)c2n1', 'yield': '60.0%'} | uspto |
28 | Reaction information for NS(=O)(=O)c1cc(C(=O)c2ccc(N3CCCCC3)cc2)ccc1Cl
{'reactant': 'NS(=O)(=O)c1cc(C(=O)Cl)ccc1Cl.c1ccc(N2CCCCC2)cc1', 'reagent': 'CC[Al+]CC.ClCCl.[Cl-]', 'product': 'NS(=O)(=O)c1cc(C(=O)c2ccc(N3CCCCC3)cc2)ccc1Cl', 'yield': '40.1%'} | uspto |
29 | Reaction information for CNNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1
{'reactant': 'CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)O)C1.CNN', 'reagent': 'ClCCl', 'product': 'CNNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1', 'yield': '75.8%'} | uspto |
30 | Reaction information for OCc1cccc(Cl)c1CBr
{'reactant': 'COC(=O)c1cccc(Cl)c1CBr', 'reagent': 'CC(C)C[Al+]CC(C)C.CCCCCC.COC(C)(C)C.ClCCl.O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-].[H-].[K+].[Na+]', 'product': 'OCc1cccc(Cl)c1CBr', 'yield': '98.3%'} | uspto |
31 | Reaction information for CN1C(=O)CCC(C)(C)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)ccc21
{'reactant': 'CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(C)(C)CCC(=O)N3C)cc1', 'reagent': 'C1CCOC1.CCO.[Na+].[OH-]', 'product': 'CN1C(=O)CCC(C)(C)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)ccc21', 'yield': '87.2%'} | uspto |
32 | Reaction information for Nc1nc(N2CCC[C@@H](C(=O)N3CCCC3)C2)ccc1NC(=O)C1(c2cnccn2)CC1
{'reactant': 'Nc1ccc(N2CCC[C@@H](C(=O)N3CCCC3)C2)nc1N.O=C(O)C1(c2cnccn2)CC1', 'reagent': 'CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C.Cl.Cl.ClCCl.F[P-](F)(F)(F)(F)F', 'product': 'Nc1nc(N2CCC[C@@H](C(=O)N3CCCC3)C2)ccc1NC(=O)C1(c2cnccn2)CC1', 'yield': '34.3%'} | uspto |
33 | Reaction information for COc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1c(Br)cnn1C
{'reactant': 'COc1ccc(N)cc1-c1c(Br)cnn1C.O=C=Nc1cccc(C(F)(F)F)c1', 'reagent': 'ClCCl', 'product': 'COc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1c(Br)cnn1C', 'yield': '65.9%'} | uspto |
34 | Reaction information for COc1ccccc1C1CCN(C(=O)c2c3n(c4ccccc24)CCN(C(=O)OC(C)(C)C)C3)CC1
{'reactant': 'CC(C)(C)OC(=O)N1CCn2c(c(C(=O)O)c3ccccc32)C1.COc1ccccc1C1CCNCC1', 'reagent': 'CCN=C=NCCCN(C)C.CN(C)C=O.Cl.On1nnc2ccccc21.[Cl-].[NH4+]', 'product': 'COc1ccccc1C1CCN(C(=O)c2c3n(c4ccccc24)CCN(C(=O)OC(C)(C)C)C3)CC1', 'yield': '55.8%'} | uspto |
35 | Reaction information for CC(C)(C)[Si](C)(C)Oc1c(F)cccc1F
{'reactant': 'CC(C)(C)[Si](C)(C)Cl.Oc1c(F)cccc1F', 'reagent': 'c1c[nH]cn1', 'product': 'CC(C)(C)[Si](C)(C)Oc1c(F)cccc1F', 'yield': '83.1%'} | uspto |
36 | Reaction information for COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCCCCN2C(=O)c3ccccc3C2=O)CC1
{'reactant': 'COc1cc(N)c(Cl)cc1C(=O)NCC1CCNCC1.O=C1c2ccccc2C(=O)N1CCCCCCBr', 'reagent': 'Cl.Cl', 'product': 'COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCCCCN2C(=O)c3ccccc3C2=O)CC1', 'yield': '70.3%'} | uspto |
37 | Reaction information for CN(c1ncns1)S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2-c2ccc3[nH]c(N)nc3c2)cc1F
{'reactant': 'CN(c1ncns1)S(=O)(=O)c1cc(F)c(F)cc1F.Nc1nc2cc(-c3cc(Cl)ccc3O)ccc2[nH]1', 'reagent': 'CN(C)C=O.O.[H-].[Na+]', 'product': 'CN(c1ncns1)S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2-c2ccc3[nH]c(N)nc3c2)cc1F', 'yield': '63.0%'} | uspto |
38 | Reaction information for Nc1ccc(Br)c(F)c1N
{'reactant': 'Nc1ccc(Br)c(F)c1[N+](=O)[O-]', 'reagent': 'CCO.Cl[Sn]Cl.O.O', 'product': 'Nc1ccc(Br)c(F)c1N', 'yield': '84.3%'} | uspto |
39 | Reaction information for COc1cc(CCCCc2ccccc2OCC2CO2)cc(OC)c1
{'reactant': 'COc1cc(CCCCc2ccccc2O)cc(OC)c1.ClCC1CO1', 'reagent': 'CC(=O)N(C)C.CC(C)(C)[O-].[K+]', 'product': 'COc1cc(CCCCc2ccccc2OCC2CO2)cc(OC)c1', 'yield': '79.8%'} | uspto |
40 | Reaction information for C=Cc1cc([C@]2(OC)C[C@@H](C(=O)OC)N(C(=O)OCC[Si](C)(C)C)C2)ccc1-c1ccccc1
{'reactant': 'C=Cc1cc([C@]2(O)C[C@@H](C(=O)OC)N(C(=O)OCC[Si](C)(C)C)C2)ccc1-c1ccccc1.CI', 'reagent': 'CN(C)C=O.[H-].[Na+]', 'product': 'C=Cc1cc([C@]2(OC)C[C@@H](C(=O)OC)N(C(=O)OCC[Si](C)(C)C)C2)ccc1-c1ccccc1', 'yield': '31.2%'} | uspto |
41 | Reaction information for CN(Cc1cccc(-c2cnc(OCc3ccncc3)nc2)c1)C(=O)CNC(=O)OC(C)(C)C
{'reactant': 'CN(Cc1cccc(-c2cnc(Cl)nc2)c1)C(=O)CNC(=O)OC(C)(C)C.OCc1ccncc1', 'reagent': 'CN(C)C=O.O.[H-].[Na+]', 'product': 'CN(Cc1cccc(-c2cnc(OCc3ccncc3)nc2)c1)C(=O)CNC(=O)OC(C)(C)C', 'yield': '99.9%'} | uspto |
42 | Reaction information for C[C@@H]1CCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1
{'reactant': 'COC(=O)c1ccc2nc(-c3ccc(F)cc3)c(N3CCC[C@H]3C)nc2c1', 'reagent': 'CO.Cl.O.[Na+].[OH-]', 'product': 'C[C@@H]1CCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1', 'yield': '32.0%'} | uspto |
43 | Reaction information for CCCCCCn1ccc2c(C=O)cccc21
{'reactant': 'CCCCCCBr.O=Cc1cccc2[nH]ccc12', 'reagent': 'CN(C)C=O.O=C([O-])[O-].[Cl-].[K+].[K+].[NH4+]', 'product': 'CCCCCCn1ccc2c(C=O)cccc21', 'yield': '60.5%'} | uspto |
44 | Reaction information for C#Cc1ccc(C=O)cc1
{'reactant': 'C[Si](C)(C)C#Cc1ccc(C=O)cc1', 'reagent': 'CO.ClCCl.O=C([O-])[O-].[K+].[K+]', 'product': 'C#Cc1ccc(C=O)cc1', 'yield': '88.5%'} | uspto |
45 | Reaction information for CC(C)(C)OC(=O)N[C@@H](CC1CCCC1)C(=O)OCc1ccccc1
{'reactant': 'CC(C)(C)OC(=O)N[C@@H](CC1CCCC1)C(=O)O.OCc1ccccc1', 'reagent': 'CCN=C=NCCCN(C)C.CN(C)c1ccncc1.Cl.ClCCl.On1nnc2ccccc21', 'product': 'CC(C)(C)OC(=O)N[C@@H](CC1CCCC1)C(=O)OCc1ccccc1', 'yield': '95.5%'} | uspto |
46 | Reaction information for CC(C)(C)c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(-n2ccnc2)c1
{'reactant': 'CC(C)(C)c1cc(Br)cc(-n2ccnc2)c1.CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(O)cc32)c1', 'reagent': 'CS(C)=O.O=C(O)c1ccccn1.O=P([O-])([O-])[O-].[Cu]I.[K+].[K+].[K+]', 'product': 'CC(C)(C)c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(-n2ccnc2)c1', 'yield': '80.8%'} | uspto |
47 | Reaction information for CCCCN1CCN(c2ccc(N3CC[C@@H](OC)C3)cc2C2CCC(C)(C)CC2)CC1
{'reactant': 'CCCC=O.CO[C@@H]1CCN(c2ccc(N3CCNCC3)c(C3CCC(C)(C)CC3)c2)C1', 'reagent': 'C1CCOC1.CC(=O)O.CC(=O)O[BH-](OC(C)=O)OC(C)=O.CCOC(C)=O.O=C([O-])O.[Na+].[Na+]', 'product': 'CCCCN1CCN(c2ccc(N3CC[C@@H](OC)C3)cc2C2CCC(C)(C)CC2)CC1', 'yield': '92.3%'} | uspto |
48 | Reaction information for Cc1c(CCC(=O)O)c[nH]c1C=C1C(=O)Nc2ccc(CCC(=O)O)cc21
{'reactant': 'Cc1c(CCC(=O)O)c[nH]c1C=O.O=C(O)CCc1ccc2c(c1)CC(=O)N2', 'reagent': 'C1CCNCC1.CCO', 'product': 'Cc1c(CCC(=O)O)c[nH]c1C=C1C(=O)Nc2ccc(CCC(=O)O)cc21', 'yield': '65.9%'} | uspto |
49 | Reaction information for NC(=O)c1cc(OC2CCNCC2)nc(C(F)(F)F)c1
{'reactant': 'CC(C)(C)OC(=O)N1CCC(Oc2cc(C(N)=O)cc(C(F)(F)F)n2)CC1', 'reagent': 'C1COCCO1.CC#N.Cl.[NH4+].[OH-]', 'product': 'NC(=O)c1cc(OC2CCNCC2)nc(C(F)(F)F)c1', 'yield': '60.3%'} | uspto |
50 | Reaction information for COC(=O)c1cnc2ccccc2c1
{'reactant': 'CO.O=C(O)c1cnc2ccccc2c1', 'reagent': 'O=S(Cl)Cl', 'product': 'COC(=O)c1cnc2ccccc2c1', 'yield': '99.0%'} | uspto |
51 | Reaction information for Cc1c(Br)cn(C)c(=O)c1C
{'reactant': 'CI.Cc1c(Br)c[nH]c(=O)c1C', 'reagent': 'C1CCOC1.[Cl-].[H-].[NH4+].[Na+]', 'product': 'Cc1c(Br)cn(C)c(=O)c1C', 'yield': '80.5%'} | uspto |
52 | Reaction information for O=C(NCCCCc1ccc(O)c2ccccc12)OCc1ccccc1
{'reactant': 'CC(C)(C)[Si](C)(C)Oc1ccc(CCCCNC(=O)OCc2ccccc2)c2ccccc12', 'reagent': 'C1CCOC1.CCCC[N+](CCCC)(CCCC)CCCC.[F-]', 'product': 'O=C(NCCCCc1ccc(O)c2ccccc12)OCc1ccccc1', 'yield': '99.0%'} | uspto |
53 | Reaction information for CCCCCCCC(=O)OCC(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
{'reactant': 'CCCCCCCC(=O)OCC(O)CO.ClC(c1ccccc1)(c1ccccc1)c1ccccc1', 'reagent': 'CCN(CC)CC.CN(C)c1ccncc1.ClCCl', 'product': 'CCCCCCCC(=O)OCC(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1', 'yield': '47.1%'} | uspto |
54 | Reaction information for CN(Cc1ccc(NC(=O)C2=Cc3cc(-c4ccc(OCc5ccccn5)cc4)ccc3S(=O)(=O)CC2)cc1)C1CCOCC1
{'reactant': 'CN(Cc1ccc(NC(=O)C2=Cc3cc(-c4ccc(O)cc4)ccc3S(=O)(=O)CC2)cc1)C1CCOCC1.ClCc1ccccn1', 'reagent': 'CN(C)C=O.Cl.O.O=C([O-])[O-].[K+].[K+]', 'product': 'CN(Cc1ccc(NC(=O)C2=Cc3cc(-c4ccc(OCc5ccccn5)cc4)ccc3S(=O)(=O)CC2)cc1)C1CCOCC1', 'yield': '2.2%'} | uspto |
55 | Reaction information for C[C@H]1COCCN1c1cc(C(C)(C)O)nc(-c2ccc(NC(=O)Nc3ccon3)cc2)n1
{'reactant': 'CC1(C)OB(c2ccc(NC(=O)Nc3ccon3)cc2)OC1(C)C.C[C@H]1COCCN1c1cc(C(C)(C)O)nc(Cl)n1', 'reagent': 'CCO.CN(C)C=O.COCCOC.Cl.O', 'product': 'C[C@H]1COCCN1c1cc(C(C)(C)O)nc(-c2ccc(NC(=O)Nc3ccon3)cc2)n1', 'yield': '20.1%'} | uspto |
56 | Reaction information for Nc1nccc2cc(OC3CCCN(CCOc4ccccc4)C3)ccc12
{'reactant': 'BrCCOc1ccccc1.Nc1nccc2cc(OC3CCCNC3)ccc12', 'reagent': 'CC#N.CN(C)C=O.O=C([O-])[O-].[K+].[K+]', 'product': 'Nc1nccc2cc(OC3CCCN(CCOc4ccccc4)C3)ccc12', 'yield': '28.0%'} | uspto |
57 | Reaction information for O=[N+]([O-])c1c(O)ccc2cc(-c3ccc(O)cc3)ccc12
{'reactant': 'CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc3c([N+](=O)[O-])c(O)ccc3c2)cc1', 'reagent': 'C1CCOC1.CCCC[N+](CCCC)(CCCC)CCCC.O.[F-]', 'product': 'O=[N+]([O-])c1c(O)ccc2cc(-c3ccc(O)cc3)ccc12', 'yield': '60.7%'} | uspto |
58 | Reaction information for OCC1CCCCc2c1ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1
{'reactant': 'COC(=O)C1CCCCc2c1ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1', 'reagent': 'C1CCOC1.O.[Al+3].[H-].[H-].[H-].[H-].[Li+].[Na+].[OH-]', 'product': 'OCC1CCCCc2c1ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1', 'yield': '85.7%'} | uspto |
59 | Reaction information for COc1ccc(COc2ccc(Cn3cnc4cc(-c5nnc(C6CCNCC6)o5)ccc43)cc2OC)cn1
{'reactant': 'COc1ccc(COc2ccc(Cn3cnc4cc(-c5nnc(C6CCN(C(=O)OC(C)(C)C)CC6)o5)ccc43)cc2OC)cn1', 'reagent': 'ClCCl.O=C(O)C(F)(F)F', 'product': 'COc1ccc(COc2ccc(Cn3cnc4cc(-c5nnc(C6CCNCC6)o5)ccc43)cc2OC)cn1', 'yield': '13.8%'} | uspto |
60 | Reaction information for COc1cc(OCCN)c2c3c(n(Cc4ccccc4)c2c1)CCCC3C(N)=O
{'reactant': 'COc1cc(OCC#N)c2c3c(n(Cc4ccccc4)c2c1)CCCC3C(N)=O', 'reagent': 'C1CCOC1.C1CCOC1.O=S(=O)(O)O.[Al+3].[H-].[H-].[H-].[H-].[Li+]', 'product': 'COc1cc(OCCN)c2c3c(n(Cc4ccccc4)c2c1)CCCC3C(N)=O', 'yield': '55.1%'} | uspto |
61 | Reaction information for O=C(NCCc1c[nH]c2ccc(Cl)cc12)[C@@H]1CCN(Cc2ccccc2)C1
{'reactant': 'NCCc1c[nH]c2ccc(Cl)cc12.O=C(O)[C@@H]1CCN(Cc2ccccc2)C1', 'reagent': 'CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.Cl.Cl.F[P-](F)(F)(F)(F)F', 'product': 'O=C(NCCc1c[nH]c2ccc(Cl)cc12)[C@@H]1CCN(Cc2ccccc2)C1', 'yield': '34.0%'} | uspto |
62 | Reaction information for COc1ccc(COCC2CC=CC2)cc1
{'reactant': 'COc1ccc(CCl)cc1.OCC1CC=CC1', 'reagent': 'CN(C)C=O.[H-].[Na+]', 'product': 'COc1ccc(COCC2CC=CC2)cc1', 'yield': '79.0%'} | uspto |
63 | Reaction information for O=C(O)[C@H]1CC[C@H](C(=O)N2CCOCC2)CC1
{'reactant': 'COC(=O)[C@H]1CC[C@H](C(=O)N2CCOCC2)CC1', 'reagent': 'CO.[Na+].[OH-]', 'product': 'O=C(O)[C@H]1CC[C@H](C(=O)N2CCOCC2)CC1', 'yield': '78.5%'} | uspto |
64 | Reaction information for COC[C@H](NC(=O)c1cnc(C)s1)C(=O)N[C@@H](COC)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@](C)(O)COS(=O)(=O)c1ccc(C(F)(F)F)cc1
{'reactant': 'COC[C@H](NC(=O)c1cnc(C)s1)C(=O)N[C@@H](COC)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@](C)(O)CO.O=S(=O)(Cl)c1ccc(C(F)(F)F)cc1', 'reagent': 'CCN(C(C)C)C(C)C.CN(C)c1ccncc1.ClCCl', 'product': 'COC[C@H](NC(=O)c1cnc(C)s1)C(=O)N[C@@H](COC)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@](C)(O)COS(=O)(=O)c1ccc(C(F)(F)F)cc1', 'yield': '51.1%'} | uspto |
65 | Reaction information for NC(=O)c1ccc(Br)c(F)c1
{'reactant': 'O=C(O)c1ccc(Br)c(F)c1.[NH4+]', 'reagent': 'CC(C)NC(C)C.Cc1ccccc1.O=S(Cl)Cl.[Cl-]', 'product': 'NC(=O)c1ccc(Br)c(F)c1', 'yield': '62.9%'} | uspto |
66 | Reaction information for C[C@H]1CN(c2nc3ccccc3o2)c2cc(Br)ccc2N1C(=O)C1CC1
{'reactant': 'C[C@H]1CN(c2nc3ccccc3o2)c2cc(Br)ccc2N1.O=C(Cl)C1CC1', 'reagent': 'CCN(C(C)C)C(C)C.ClCCCl', 'product': 'C[C@H]1CN(c2nc3ccccc3o2)c2cc(Br)ccc2N1C(=O)C1CC1', 'yield': '99.0%'} | uspto |
67 | Reaction information for CC(C)(C)OC(=O)N(CCO)CCO
{'reactant': 'CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.OCCNCCO', 'reagent': 'CC#N', 'product': 'CC(C)(C)OC(=O)N(CCO)CCO', 'yield': '80.0%'} | uspto |
68 | Reaction information for COC(=O)c1ccc(C2(NC(=O)c3cc(Cl)cnc3N3CC(Oc4cccc(F)c4)C3)CC2)nc1
{'reactant': 'COC(=O)c1ccc(C2(N)CC2)nc1.O=C(O)c1cc(Cl)cnc1N1CC(Oc2cccc(F)c2)C1', 'reagent': 'Cl', 'product': 'COC(=O)c1ccc(C2(NC(=O)c3cc(Cl)cnc3N3CC(Oc4cccc(F)c4)C3)CC2)nc1', 'yield': '24.2%'} | uspto |
69 | Reaction information for O=C(Nc1ccc2c(c1)[nH]c1c(C(=O)O)ncc(-c3ccccc3F)c12)OCc1ccccc1
{'reactant': 'CCOC(=O)c1ncc(-c2ccccc2F)c2c1[nH]c1cc(NC(=O)OCc3ccccc3)ccc12', 'reagent': 'C1CCOC1.CO.O.O.[Li+].[OH-]', 'product': 'O=C(Nc1ccc2c(c1)[nH]c1c(C(=O)O)ncc(-c3ccccc3F)c12)OCc1ccccc1', 'yield': '95.2%'} | uspto |
70 | Reaction information for COC(=O)c1cnc(OC2CCCC2)c(Br)c1
{'reactant': 'COC(=O)c1cnc(Cl)c(Br)c1.OC1CCCC1', 'reagent': 'CN(C)C=O.[H-].[Na+]', 'product': 'COC(=O)c1cnc(OC2CCCC2)c(Br)c1', 'yield': '16.0%'} | uspto |
71 | Reaction information for CS(=O)(=O)CCCCC1(C(=O)O)CCCC1
{'reactant': 'COC(=O)C1(CCCCS(C)(=O)=O)CCCC1', 'reagent': 'C1CCOC1.CO.[Na+].[OH-]', 'product': 'CS(=O)(=O)CCCCC1(C(=O)O)CCCC1', 'yield': '92.1%'} | uspto |
72 | Reaction information for CCOC(=O)CCc1cc2cc(C#N)cc(F)c2[nH]1
{'reactant': 'CCOC(=O)CCc1cc2cc(Br)cc(F)c2[nH]1.N#C[Cu]', 'reagent': 'CN(C)C=O.[Cu]I', 'product': 'CCOC(=O)CCc1cc2cc(C#N)cc(F)c2[nH]1', 'yield': '74.3%'} | uspto |
73 | Reaction information for COc1cc(O[Si](C)(C)C(C)(C)C)ccc1Br
{'reactant': 'CC(C)(C)[Si](C)(C)Cl.COc1cc(O)ccc1Br', 'reagent': 'CCN(C(C)C)C(C)C.ClCCl.O', 'product': 'COc1cc(O[Si](C)(C)C(C)(C)C)ccc1Br', 'yield': '100.0%'} | uspto |
74 | Reaction information for COc1nc(SC)nc2c1c(C)cn2Cc1ccc(C(=O)c2ccc(F)cc2)cc1
{'reactant': 'COc1nc(SC)nc2[nH]cc(C)c12.O=C(c1ccc(F)cc1)c1ccc(CBr)cc1', 'reagent': 'COCCOC.[H-].[Na+]', 'product': 'COc1nc(SC)nc2c1c(C)cn2Cc1ccc(C(=O)c2ccc(F)cc2)cc1', 'yield': '84.0%'} | uspto |
75 | Reaction information for C[C@@H](NC(=O)OC(C)(C)C)c1ccc2ccc(Br)cc2n1
{'reactant': 'CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.C[C@@H](N)c1ccc2ccc(Br)cc2n1', 'reagent': 'CCN(CC)CC.CN(C)c1ccncc1.Cl.ClCCl', 'product': 'C[C@@H](NC(=O)OC(C)(C)C)c1ccc2ccc(Br)cc2n1', 'yield': '70.0%'} | uspto |
76 | Reaction information for CC(Oc1ccc2c(c1)N(C)C(=O)N(c1ccc(Cl)cc1)S2(=O)=O)C(=O)O
{'reactant': 'CCOC(=O)C(C)Oc1ccc2c(c1)N(C)C(=O)N(c1ccc(Cl)cc1)S2(=O)=O', 'reagent': 'CCO.O.[Na+].[OH-]', 'product': 'CC(Oc1ccc2c(c1)N(C)C(=O)N(c1ccc(Cl)cc1)S2(=O)=O)C(=O)O', 'yield': '64.1%'} | uspto |
77 | Reaction information for Cc1nnc(-c2ccc3occ(-c4ccc(S(C)=O)cc4)c3c2)o1
{'reactant': 'CSc1ccc(-c2coc3ccc(-c4nnc(C)o4)cc23)cc1.O=C(OO)c1cccc(Cl)c1', 'reagent': 'ClCCl', 'product': 'Cc1nnc(-c2ccc3occ(-c4ccc(S(C)=O)cc4)c3c2)o1', 'yield': '84.0%'} | uspto |
78 | Reaction information for OC1CCN(c2ccccn2)CC1
{'reactant': 'Clc1ccccn1.OC1CCNCC1', 'reagent': 'CC(C)O.CCN(C(C)C)C(C)C', 'product': 'OC1CCN(c2ccccn2)CC1', 'yield': '27.2%'} | uspto |
79 | Reaction information for Cn1nnn(-c2cccc(OC(F)F)c2CBr)c1=O
{'reactant': 'Cc1c(OC(F)F)cccc1-n1nnn(C)c1=O.O=C1CCC(=O)N1Br', 'reagent': 'Clc1ccccc1.N#CC1(N=NC2(C#N)CCCCC2)CCCCC1.O', 'product': 'Cn1nnn(-c2cccc(OC(F)F)c2CBr)c1=O', 'yield': '84.1%'} | uspto |
80 | Reaction information for CC(=O)SC[C@H]1C[C@H](C(=O)OCc2ccccc2)CS1
{'reactant': 'BrCc1ccccc1.CC(=O)SC[C@H]1C[C@H](C(=O)O)CS1', 'reagent': 'CC(C)NC(C)C.CN(C)C=O.O', 'product': 'CC(=O)SC[C@H]1C[C@H](C(=O)OCc2ccccc2)CS1', 'yield': '71.0%'} | uspto |
81 | Reaction information for Nc1ccc(CCCC(=O)c2ccc(F)cc2)cc1
{'reactant': 'O=C(CCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1', 'reagent': 'C1CCOC1.CCOC(C)=O.[H][H].[Pd]', 'product': 'Nc1ccc(CCCC(=O)c2ccc(F)cc2)cc1', 'yield': '77.8%'} | uspto |
82 | Reaction information for C[C@H](COS(C)(=O)=O)[C@@H](c1ccco1)N(C)C(=O)OC(C)(C)C
{'reactant': 'CS(=O)(=O)Cl.C[C@H](CO)[C@@H](c1ccco1)N(C)C(=O)OC(C)(C)C', 'reagent': 'CCN(CC)CC.ClCCl', 'product': 'C[C@H](COS(C)(=O)=O)[C@@H](c1ccco1)N(C)C(=O)OC(C)(C)C', 'yield': '99.0%'} | uspto |
83 | Reaction information for CC(=Cc1ccc(C)cc1)COc1cc(C)c(NC=O)c(C)c1C
{'reactant': 'CC(=Cc1ccc(C)cc1)CBr.Cc1cc(O)c(C)c(C)c1NC=O', 'reagent': 'CCCCCC.CCOC(C)=O', 'product': 'CC(=Cc1ccc(C)cc1)COc1cc(C)c(NC=O)c(C)c1C', 'yield': '57.0%'} | uspto |
84 | Reaction information for CCOC(=O)c1cc2cc(C(=O)N3CC4(C)CC3CC(C)(C)C4)ccc2[nH]1
{'reactant': 'CC1(C)CC2CC(C)(CN2)C1.CCOC(=O)c1cc2cc(C(=O)O)ccc2[nH]1', 'reagent': 'CCN(C(C)C)C(C)C.CCN=C=NCCCN(C)C.CN(C)C=O.Cl.On1nnc2ccccc21', 'product': 'CCOC(=O)c1cc2cc(C(=O)N3CC4(C)CC3CC(C)(C)C4)ccc2[nH]1', 'yield': '57.1%'} | uspto |
85 | Reaction information for COc1ccc(C2=NOC(CCCN3CCN(c4ncccn4)CC3)C2)cc1OC
{'reactant': 'COc1ccc(C2=NOC(CCC=O)C2)cc1OC.c1cnc(N2CCNCC2)nc1', 'reagent': 'CC(=O)O[BH-](OC(C)=O)OC(C)=O.CCN(C(C)C)C(C)C.Cl.Cl.ClCCl.[Na+]', 'product': 'COc1ccc(C2=NOC(CCCN3CCN(c4ncccn4)CC3)C2)cc1OC', 'yield': '68.2%'} | uspto |
86 | Reaction information for NC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCCCC3)cc2)CC1
{'reactant': 'CC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCCCC3)cc2)CC1', 'reagent': 'C1COCCO1.Cl', 'product': 'NC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCCCC3)cc2)CC1', 'yield': '97.4%'} | uspto |
87 | Reaction information for CC(CP(=O)(O)O)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1
{'reactant': 'CCOP(=O)(CC(C)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)OCC', 'reagent': 'CN(C)C=O.CO.C[Si](C)(C)Br.O', 'product': 'CC(CP(=O)(O)O)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1', 'yield': '38.0%'} | uspto |
88 | Reaction information for COc1cccc(C=CC(=O)Nc2cc(C)c(O)c(C)c2)c1
{'reactant': 'COc1cccc(C=CC(=O)O)c1.Cc1cc(N)cc(C)c1O', 'reagent': 'C(=NC1CCCCC1)=NC1CCCCC1.C1CCOC1.CCOC(C)=O.On1nnc2ccccc21', 'product': 'COc1cccc(C=CC(=O)Nc2cc(C)c(O)c(C)c2)c1', 'yield': '68.5%'} | uspto |
89 | Reaction information for O=C1CCCN1c1ccc(OS(=O)(=O)C(F)(F)F)c(Cc2ccccc2)c1
{'reactant': 'O=C1CCCN1c1ccc(O)c(Cc2ccccc2)c1.O=S(=O)(N(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F', 'reagent': 'CCN(CC)CC.CN(C)c1ccncc1.ClCCl', 'product': 'O=C1CCCN1c1ccc(OS(=O)(=O)C(F)(F)F)c(Cc2ccccc2)c1', 'yield': '94.1%'} | uspto |
90 | Reaction information for CNCc1nc2c(C#N)c(C)c(-c3ccccc3)c(F)c2o1
{'reactant': 'Cc1c(-c2ccccc2)c(F)c2oc(CN(C)C(=O)OCc3ccccc3)nc2c1C#N', 'reagent': 'C.CCO.[Pd]', 'product': 'CNCc1nc2c(C#N)c(C)c(-c3ccccc3)c(F)c2o1', 'yield': '69.0%'} | uspto |
91 | Reaction information for O=C(O)c1ncnc2c1CCN(Cc1ccccc1)C2
{'reactant': 'COC(=O)c1ncnc2c1CCN(Cc1ccccc1)C2', 'reagent': 'CO.[Na+].[OH-]', 'product': 'O=C(O)c1ncnc2c1CCN(Cc1ccccc1)C2', 'yield': '91.0%'} | uspto |
92 | Reaction information for NC(=O)Cc1ccc(Nc2cc(C3CC3)nc(-c3cccc(Cl)c3)n2)cc1
{'reactant': 'Clc1cccc(-c2nc(Cl)cc(C3CC3)n2)c1.NC(=O)Cc1ccc(N)cc1', 'reagent': 'CN1CCCC1=O.O', 'product': 'NC(=O)Cc1ccc(Nc2cc(C3CC3)nc(-c3cccc(Cl)c3)n2)cc1', 'yield': '76.2%'} | uspto |
93 | Reaction information for O=C(O)c1cccc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)cc3ccccc23)c1
{'reactant': 'CC(C)(C)OC(=O)c1cccc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)cc3ccccc23)c1', 'reagent': 'ClCCl.O=C(O)C(F)(F)F', 'product': 'O=C(O)c1cccc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)cc3ccccc23)c1', 'yield': '92.0%'} | uspto |
94 | Reaction information for O=S(=O)(Oc1ccc(Cl)cc1F)C(F)(F)F
{'reactant': 'O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F.Oc1ccc(Cl)cc1F', 'reagent': 'ClCCl.c1ccncc1', 'product': 'O=S(=O)(Oc1ccc(Cl)cc1F)C(F)(F)F', 'yield': '95.0%'} | uspto |
95 | Reaction information for O=C(CCl)N1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1
{'reactant': 'O=C(Cl)CCl.c1c(N2CCCC2)nc(N2CCCC2)nc1N1CCNCC1', 'reagent': 'ClC(Cl)Cl', 'product': 'O=C(CCl)N1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1', 'yield': '97.0%'} | uspto |
96 | Reaction information for Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CCC(NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCN)cc1
{'reactant': 'Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CCC(NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)OCc2ccccc2)cc1', 'reagent': 'CO.[Pd]', 'product': 'Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CCC(NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCN)cc1', 'yield': '51.0%'} | uspto |
97 | Reaction information for COc1cccc(Cl)c1CO
{'reactant': 'COc1cccc(Cl)c1C(=O)O', 'reagent': 'B.C1CCOC1.C1CCOC1', 'product': 'COc1cccc(Cl)c1CO', 'yield': '96.6%'} | uspto |
98 | Reaction information for O=C(CBr)CC1(c2ccccc2C(F)(F)F)CCC1
{'reactant': 'BrBr.CC(=O)CC1(c2ccccc2C(F)(F)F)CCC1', 'reagent': 'CO.O', 'product': 'O=C(CBr)CC1(c2ccccc2C(F)(F)F)CCC1', 'yield': '58.8%'} | uspto |
99 | Reaction information for Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(CO)c1
{'reactant': 'COC(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)nc2C)ccc1Cl', 'reagent': 'C1CCOC1.O=C([O-])O.[BH4-].[Li+].[Na+]', 'product': 'Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(CO)c1', 'yield': '53.5%'} | uspto |
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