id int64 0 144k | contents stringlengths 124 842 |
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300 | Reaction information for Cc1ccc(S(=O)(=O)O[C@H]2CN(C(=O)OC(C)(C)C)[C@H]3[C@@H]2OC[C@@H]3O)cc1
{'reactant': 'CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Cc1ccc(S(=O)(=O)O[C@H]2CN[C@H]3[C@@H]2OC[C@@H]3O)cc1', 'reagent': 'C1COCCO1.O.O=C([O-])[O-].[Na+].[Na+]', 'product': 'Cc1ccc(S(=O)(=O)O[C@H]2CN(C(=O)OC(C)(C)C)[C@H]3[C@@H]2OC[C@@H]3O... |
301 | Reaction information for COCc1cc(OCCc2nc(-c3ccccc3)oc2C)ccc1CCC(=O)OC(C)(C)C
{'reactant': 'CI.Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCC(=O)OC(C)(C)C)c(CO)c1', 'reagent': 'CN(C)C=O.[H-].[Na+]', 'product': 'COCc1cc(OCCc2nc(-c3ccccc3)oc2C)ccc1CCC(=O)OC(C)(C)C', 'yield': '57.9%'} |
302 | Reaction information for CCNc1nc(Cl)c(C#N)c(NC(C)C)n1
{'reactant': 'CC(C)N.CCNc1nc(Cl)c(C#N)c(Cl)n1', 'reagent': 'CC(C)=O', 'product': 'CCNc1nc(Cl)c(C#N)c(NC(C)C)n1', 'yield': '94.7%'} |
303 | Reaction information for N#CCc1ccc(C(=O)O)cc1
{'reactant': 'O=C(O)c1ccc(CBr)cc1.[C-]#N', 'reagent': 'CC#N.O.[Na+].[Na+].[OH-]', 'product': 'N#CCc1ccc(C(=O)O)cc1', 'yield': '26.4%'} |
304 | Reaction information for CC(C)(C)c1ccc(NC(=O)c2cccnc2SC(NC(=O)CN2CCOCC2)c2ccncc2)cc1
{'reactant': 'C1COCCN1.CC(C)(C)c1ccc(NC(=O)c2cccnc2SC(NC(=O)CCl)c2ccncc2)cc1', 'reagent': 'CCOC(C)=O', 'product': 'CC(C)(C)c1ccc(NC(=O)c2cccnc2SC(NC(=O)CN2CCOCC2)c2ccncc2)cc1', 'yield': '32.0%'} |
305 | Reaction information for Cc1cc(O)cc(C)c1-c1csc(N)n1
{'reactant': 'Cc1cc(O)cc(C)c1C(=O)CBr.NC(N)=S', 'reagent': 'CCO', 'product': 'Cc1cc(O)cc(C)c1-c1csc(N)n1', 'yield': '79.0%'} |
306 | Reaction information for COc1ccc2c(c1)c(-c1cc3cccnc3[nH]1)cn2C
{'reactant': 'COc1ccc2c(c1)c(-c1cc3cccnc3n1S(=O)(=O)c1ccc(C)cc1)cn2C', 'reagent': 'CO.[K+].[OH-]', 'product': 'COc1ccc2c(c1)c(-c1cc3cccnc3[nH]1)cn2C', 'yield': '80.5%'} |
307 | Reaction information for O=C(O)C(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccccc1F
{'reactant': 'CCOC(=O)C(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccccc1F', 'reagent': 'CO.Cl.[Na].[OH-]', 'product': 'O=C(O)C(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccccc1F', 'yield': '80.2%'} |
308 | Reaction information for CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCN(C)CCNCCCCc1ccccc1
{'reactant': 'CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCN(C)CCCl.NCCCCc1ccccc1', 'reagent': 'Cl', 'product': 'CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCN(C)CCNCCCCc1ccccc1', 'yield': '92.1%'} |
309 | Reaction information for O=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)n2cc(C3CCC(O)C3)c3ccccc32)cc1
{'reactant': 'O=C1CCC(c2cn(S(=O)(=O)c3ccc(C(=O)NCc4ccc(F)cc4)cc3)c3ccccc23)C1', 'reagent': 'CO.O.[BH4-].[Na+]', 'product': 'O=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)n2cc(C3CCC(O)C3)c3ccccc32)cc1', 'yield': '69.1%'} |
310 | Reaction information for Cc1cc(Cl)c([N+](=O)[O-])cc1C#N
{'reactant': 'Cc1cc(Cl)ccc1C#N.O=[N+]([O-])[O-]', 'reagent': 'O=S(=O)(O)O.[K+]', 'product': 'Cc1cc(Cl)c([N+](=O)[O-])cc1C#N', 'yield': '42.2%'} |
311 | Reaction information for CC(O)c1ccc(F)c(Br)c1
{'reactant': 'CC(=O)c1ccc(F)c(Br)c1', 'reagent': 'C1CCOC1.CO.[BH4-].[Na+]', 'product': 'CC(O)c1ccc(F)c(Br)c1', 'yield': '97.2%'} |
312 | Reaction information for CC(C)COc1ccc(C(=O)c2ccc(OCC(C)C)c(CCC(=O)O)c2)c(O)c1
{'reactant': 'COC(=O)CCc1cc(C(=O)c2ccc(OCC(C)C)cc2O)ccc1OCC(C)C', 'reagent': 'CCO.Cl.ClC(Cl)Cl.O.[Na+].[OH-]', 'product': 'CC(C)COc1ccc(C(=O)c2ccc(OCC(C)C)c(CCC(=O)O)c2)c(O)c1', 'yield': '98.7%'} |
313 | Reaction information for Cn1c(CNc2ccc(C(=N)NC(=O)OCc3ccccc3)cc2)nc2cc(C(=O)N(CCC(=O)O)c3ccccn3)ccc21
{'reactant': 'CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C(=N)NC(=O)OCc3ccccc3)cc1)n2C)c1ccccn1', 'reagent': 'CO.ClCCl.[Na+].[OH-]', 'product': 'Cn1c(CNc2ccc(C(=N)NC(=O)OCc3ccccc3)cc2)nc2cc(C(=O)N(CCC(=O)O)c3ccccn3)ccc21', ... |
314 | Reaction information for CO[C@@H]1Cc2ccc(C(N)=O)cc2C(C)(C)[C@H]1NCCCNC(=O)OC(C)(C)C
{'reactant': 'CC(C)(C)OC(=O)NCCC=O.CO[C@@H]1Cc2ccc(C(N)=O)cc2C(C)(C)[C@H]1N', 'reagent': 'CC(=O)O[BH-](OC(C)=O)OC(C)=O.CCN(C(C)C)C(C)C.Cl.ClCCl.O=C([O-])O.[Na+].[Na+]', 'product': 'CO[C@@H]1Cc2ccc(C(N)=O)cc2C(C)(C)[C@H]1NCCCNC(=O)OC(C)(... |
315 | Reaction information for CC1(C)C(=O)C(C(=O)NCC(=O)O)=C(O)c2cc(F)ccc21
{'reactant': 'CC(C)(C)OC(=O)CNC(=O)C1=C(O)c2cc(F)ccc2C(C)(C)C1=O', 'reagent': 'O=C(O)C(F)(F)F', 'product': 'CC1(C)C(=O)C(C(=O)NCC(=O)O)=C(O)c2cc(F)ccc21', 'yield': '74.9%'} |
316 | Reaction information for Cc1cc(OC(CC(C)(C)C)c2ccc(C(=O)O)cc2)cnc1Cl
{'reactant': 'COC(=O)c1ccc(C(CC(C)(C)C)Oc2cnc(Cl)c(C)c2)cc1', 'reagent': 'CO.[Na+].[OH-]', 'product': 'Cc1cc(OC(CC(C)(C)C)c2ccc(C(=O)O)cc2)cnc1Cl', 'yield': '97.9%'} |
317 | Reaction information for O=C(O)CCn1c(=O)n(Cc2csc3ccc(Cl)cc23)c2ccccc21
{'reactant': 'CCOC(=O)CCn1c(=O)n(Cc2csc3ccc(Cl)cc23)c2ccccc21', 'reagent': 'CO.Cl.[Na+].[OH-]', 'product': 'O=C(O)CCn1c(=O)n(Cc2csc3ccc(Cl)cc23)c2ccccc21', 'yield': '42.5%'} |
318 | Reaction information for O=C(O)C(CC1CC1)c1cc(Cl)c(OCC2CC2)c(-c2ccc(C(F)(F)F)cc2)c1
{'reactant': 'CCOC(=O)C(CC1CC1)c1cc(Cl)c(OCC2CC2)c(-c2ccc(C(F)(F)F)cc2)c1', 'reagent': 'C1CCOC1.CO.O.O.[Li+].[OH-]', 'product': 'O=C(O)C(CC1CC1)c1cc(Cl)c(OCC2CC2)c(-c2ccc(C(F)(F)F)cc2)c1', 'yield': '56.0%'} |
319 | Reaction information for CC(C)c1nnc2ccc(-c3cnn(CCN)c3-c3ccc(F)cc3F)nn12
{'reactant': 'CC(C)c1nnc2ccc(-c3cnn(CCN=[N+]=[N-])c3-c3ccc(F)cc3F)nn12', 'reagent': 'CCO.O=[Pt]=O', 'product': 'CC(C)c1nnc2ccc(-c3cnn(CCN)c3-c3ccc(F)cc3F)nn12', 'yield': '98.0%'} |
320 | Reaction information for CC(C)(C)n1ncc(-c2nc(C(=O)O)cs2)c1-c1ccc(F)cc1
{'reactant': 'CCOC(=O)c1csc(-c2cnn(C(C)(C)C)c2-c2ccc(F)cc2)n1', 'reagent': 'C1CCOC1.CCO.[Na+].[OH-]', 'product': 'CC(C)(C)n1ncc(-c2nc(C(=O)O)cs2)c1-c1ccc(F)cc1', 'yield': '94.8%'} |
321 | Reaction information for COc1nc(CO)cc(C)c1CNC(=O)c1cc(Br)cc2c1c(C)cn2C(C)C
{'reactant': 'COc1nc(CO)cc(C)c1CN.Cc1cn(C(C)C)c2cc(Br)cc(C(=O)O)c12', 'reagent': 'CCOC(C)=O.CN(C)C=O.ClCCCl.ClCCl.On1nnc2cccnc21', 'product': 'COc1nc(CO)cc(C)c1CNC(=O)c1cc(Br)cc2c1c(C)cn2C(C)C', 'yield': '99.8%'} |
322 | Reaction information for COc1ccccc1N1CCN(CC(O)COc2c(Cl)cc(Cl)c(Cl)c2Cl)CC1
{'reactant': 'COc1ccccc1N1CCNCC1.Clc1cc(Cl)c(OCC2CO2)c(Cl)c1Cl', 'reagent': 'CCO', 'product': 'COc1ccccc1N1CCN(CC(O)COc2c(Cl)cc(Cl)c(Cl)c2Cl)CC1', 'yield': '44.2%'} |
323 | Reaction information for CCC(CC)c1ccc(Cl)c2nc(Nc3ccc(OC(F)(F)F)cc3Br)n(CCCCO)c12
{'reactant': 'CCOC(=O)CCCn1c(Nc2ccc(OC(F)(F)F)cc2Br)nc2c(Cl)ccc(C(CC)CC)c21', 'reagent': 'C1CCOC1.[BH4-].[Li+]', 'product': 'CCC(CC)c1ccc(Cl)c2nc(Nc3ccc(OC(F)(F)F)cc3Br)n(CCCCO)c12', 'yield': '44.0%'} |
324 | Reaction information for CCOC(=O)Cn1ncc2c1CCCC2NS(=O)(=O)c1cccc(N)c1
{'reactant': 'CCOC(=O)Cn1ncc2c1CCCC2NS(=O)(=O)c1cccc([N+](=O)[O-])c1', 'reagent': 'CC(=O)O.CCO.ClCCl.[Zn]', 'product': 'CCOC(=O)Cn1ncc2c1CCCC2NS(=O)(=O)c1cccc(N)c1', 'yield': '82.8%'} |
325 | Reaction information for CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C(=N)NO)cc1)n2C)c1ccccc1
{'reactant': 'CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C#N)cc1)n2C)c1ccccc1.NO', 'reagent': 'CCO.Cl.O=C([O-])[O-].[Na+].[Na+]', 'product': 'CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C(=N)NO)cc1)n2C)c1ccccc1', 'yield': '39.0%'} |
326 | Reaction information for CCS(=O)(=O)c1ccc(OCC2CC2(F)F)c(-c2cn(C)c(=O)c3[nH]c(C(=O)NCC(F)(F)F)cc23)c1
{'reactant': 'CCS(=O)(=O)c1ccc(OCC2CC2(F)F)c(-c2cn(C)c(=O)c3[nH]c(C(=O)O)cc23)c1.NCC(F)(F)F', 'reagent': 'CN(C)C=O.ClCCl.O=C(Cl)C(=O)Cl', 'product': 'CCS(=O)(=O)c1ccc(OCC2CC2(F)F)c(-c2cn(C)c(=O)c3[nH]c(C(=O)NCC(F)(F)F)c... |
327 | Reaction information for Cn1cc(C2CCC(N3CCN(c4cccc5[nH]ccc45)CC3)CC2)c2cc(C#N)ccc21
{'reactant': 'Cn1cc(C2CCC(=O)CC2)c2cc(C#N)ccc21.c1cc(N2CCNCC2)c2cc[nH]c2c1', 'reagent': 'CC(=O)O.CC(=O)O[BH-](OC(C)=O)OC(C)=O.ClCCCl.[Na+]', 'product': 'Cn1cc(C2CCC(N3CCN(c4cccc5[nH]ccc45)CC3)CC2)c2cc(C#N)ccc21', 'yield': '55.8%'} |
328 | Reaction information for CO[C@@H]1CN(C(=O)[C@H](CC(C)(C)C)NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)[C@H]2[C@@H]1OC[C@@H]2O
{'reactant': 'CC(C)N1CCN(c2ccc(C(=O)O)cc2)CC1.CO[C@@H]1CN(C(=O)[C@@H](N)CC(C)(C)C)[C@H]2[C@@H]1OC[C@@H]2O', 'reagent': 'CN(C)C(On1nnc2ccccc21)=[N+](C)C.CN(C)C=O.CN1CCOCC1.Cl.F[P-](F)(F)(F)(F)F.O.O=C([O-])O.... |
329 | Reaction information for CCOC(=O)c1oc2cc(O)ccc2c1C(C)C
{'reactant': 'CCOC(=O)c1oc2cc(OC)ccc2c1C(C)C', 'reagent': 'BrB(Br)Br.ClCCl', 'product': 'CCOC(=O)c1oc2cc(O)ccc2c1C(C)C', 'yield': '37.5%'} |
330 | Reaction information for CCCCCNC(=O)N(C)c1cccc(-c2cnc(CCC(=O)O)nc2)c1
{'reactant': 'CCCCCNC(=O)N(C)c1cccc(-c2cnc(CCC(=O)OC)nc2)c1', 'reagent': 'C1CCOC1.O.[Li+].[OH-]', 'product': 'CCCCCNC(=O)N(C)c1cccc(-c2cnc(CCC(=O)O)nc2)c1', 'yield': '62.1%'} |
331 | Reaction information for Cc1cccc2nc(C=Cc3ccc(C(=O)c4ccc(OCCN(C)C)nc4)cc3)n(C)c(=O)c12
{'reactant': 'CN(C)CCO.Cc1cccc2nc(C=Cc3ccc(C(=O)c4ccc(Cl)nc4)cc3)n(C)c(=O)c12', 'reagent': 'CN(C)C=O.[H-].[Na+]', 'product': 'Cc1cccc2nc(C=Cc3ccc(C(=O)c4ccc(OCCN(C)C)nc4)cc3)n(C)c(=O)c12', 'yield': '72.1%'} |
332 | Reaction information for Cc1cc(NC(=O)OCC[Si](C)(C)C)cc(N)c1Br
{'reactant': 'Cc1cc(NC(=O)OCC[Si](C)(C)C)cc([N+](=O)[O-])c1Br', 'reagent': 'CCO.O.[Cl-].[Fe].[NH4+]', 'product': 'Cc1cc(NC(=O)OCC[Si](C)(C)C)cc(N)c1Br', 'yield': '86.1%'} |
333 | Reaction information for O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(I)cc1
{'reactant': 'NCCc1c[nH]c2ccc(Cl)cc12.O=C(Cl)c1ccc(I)cc1', 'reagent': 'CCN(CC)CC.Cl.ClCCl', 'product': 'O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(I)cc1', 'yield': '45.1%'} |
334 | Reaction information for COC(=O)CCNC(=O)c1ncc2c(cc(-c3cnc(N(C)C)nc3)c(=O)n2Cc2ccccc2)c1O
{'reactant': 'COC(=O)CCN.COC(=O)c1ncc2c(cc(-c3cnc(N(C)C)nc3)c(=O)n2Cc2ccccc2)c1O', 'reagent': 'C1CCOC1.CCN(C(C)C)C(C)C.CO.Cl.ClCCCl.On1nnc2ccccc21.[Na+].[OH-]', 'product': 'COC(=O)CCNC(=O)c1ncc2c(cc(-c3cnc(N(C)C)nc3)c(=O)n2Cc2ccccc... |
335 | Reaction information for Nc1cccc(-c2ccc3cc(O)ccc3c2)c1
{'reactant': 'COc1ccc2cc(-c3cccc(N)c3)ccc2c1', 'reagent': 'BrB(Br)Br', 'product': 'Nc1cccc(-c2ccc3cc(O)ccc3c2)c1', 'yield': '14.0%'} |
336 | Reaction information for COc1ccc(-c2nocc2C(=O)N2CCC[C@@H](C(C)(C)O)C2)cc1Cl
{'reactant': 'CC(C)(O)[C@@H]1CCCNC1.COc1ccc(-c2nocc2C(=O)O)cc1Cl', 'reagent': 'CCN(C(C)C)C(C)C.CN(C)C(On1nnc2ccccc21)=[N+](C)C.CN(C)C=O.Cl.F[B-](F)(F)F', 'product': 'COc1ccc(-c2nocc2C(=O)N2CCC[C@@H](C(C)(C)O)C2)cc1Cl', 'yield': '72.6%'} |
337 | Reaction information for CN(Cc1cc2cnccc2s1)C(=O)/C=C/c1ccc(N)nc1
{'reactant': 'CNCc1cc2cnccc2s1.Nc1ccc(/C=C/C(=O)O)cn1', 'reagent': 'CCN(CC)CC.CCN=C=NCCCN(C)C.CN(C)C=O.Cl.O.O.On1nnc2ccccc21', 'product': 'CN(Cc1cc2cnccc2s1)C(=O)/C=C/c1ccc(N)nc1', 'yield': '61.0%'} |
338 | Reaction information for CC(=O)N1CCN(c2cc(-c3ccccc3C)c3c(n2)OCCCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C3=O)CC1
{'reactant': 'CC(=O)N1CCNCC1.Cc1ccccc1-c1cc(Cl)nc2c1C(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCCO2', 'reagent': 'O', 'product': 'CC(=O)N1CCN(c2cc(-c3ccccc3C)c3c(n2)OCCCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C3=O)CC1', 'yield':... |
339 | Reaction information for COCCNCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1c(F)cccc1F
{'reactant': 'COCCN.O=Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1c(F)cccc1F', 'reagent': 'ClCCl', 'product': 'COCCNCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1c(F)cccc1F', 'yield': '36.0%'} |
340 | Reaction information for CCNC(=O)c1ccc2ccc(OC)cc2c1OC(C)C
{'reactant': 'CCN.COc1ccc2ccc(C(=O)O)c(OC(C)C)c2c1', 'reagent': 'C1CCOC1.O=C(n1ccnc1)n1ccnc1', 'product': 'CCNC(=O)c1ccc2ccc(OC)cc2c1OC(C)C', 'yield': '70.0%'} |
341 | Reaction information for CCCC(C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccc(C)cc1)CCN(Cc1ccccc1)C3
{'reactant': 'CCCC(C(=O)OCC)c1c(C)nc2sc3c(c2c1-c1ccc(C)cc1)CCN(Cc1ccccc1)C3', 'reagent': 'CCO.CO.[Na+].[OH-]', 'product': 'CCCC(C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccc(C)cc1)CCN(Cc1ccccc1)C3', 'yield': '5.5%'} |
342 | Reaction information for COc1cc(Cc2cnc(N)nc2N)cc(-c2cccc(NCCC(=O)O)c2)c1OC
{'reactant': 'COC(=O)CCNc1cccc(-c2cc(Cc3cnc(N)nc3N)cc(OC)c2OC)c1', 'reagent': 'CO.[K+].[OH-]', 'product': 'COc1cc(Cc2cnc(N)nc2N)cc(-c2cccc(NCCC(=O)O)c2)c1OC', 'yield': '27.6%'} |
343 | Reaction information for Cc1ccc(-c2ccccc2N)cc1
{'reactant': 'Cc1ccc(-c2ccccc2[N+](=O)[O-])cc1', 'reagent': 'CO.[Pd]', 'product': 'Cc1ccc(-c2ccccc2N)cc1', 'yield': '93.0%'} |
344 | Reaction information for C#CCOc1ccc2c(C)cc(=O)oc2c1C(=O)C=Cc1cccc(OC)c1
{'reactant': 'C#CCOc1ccc2c(C)cc(=O)oc2c1C(C)=O.COc1cccc(C=O)c1', 'reagent': 'CCO.O.[K+].[OH-]', 'product': 'C#CCOc1ccc2c(C)cc(=O)oc2c1C(=O)C=Cc1cccc(OC)c1', 'yield': '53.4%'} |
345 | Reaction information for CCCCCCOc1cc2c(cc1N(CC)c1ccc(C(=O)O)cc1)C(C)=CCC2(C)C
{'reactant': 'CCCCCCOc1cc2c(cc1N(CC)c1ccc(C(=O)OCC)cc1)C(C)=CCC2(C)C', 'reagent': '[K+].[OH-]', 'product': 'CCCCCCOc1cc2c(cc1N(CC)c1ccc(C(=O)O)cc1)C(C)=CCC2(C)C', 'yield': '26.8%'} |
346 | Reaction information for CCCc1nnc(COC)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1
{'reactant': 'CCCc1nnc(COC)n1Cc1ccc(-c2ccccc2C#N)cc1.[N-]=[N+]=[N-]', 'reagent': 'CN(C)C=O.[Cl-].[NH4+].[Na+]', 'product': 'CCCc1nnc(COC)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1', 'yield': '20.9%'} |
347 | Reaction information for O=[N+]([O-])c1ccc(N2CCSCC2)c(F)c1
{'reactant': 'C1CSCCN1.O=[N+]([O-])c1ccc(F)c(F)c1', 'reagent': 'CCN(CC)CC.CCOC(C)=O', 'product': 'O=[N+]([O-])c1ccc(N2CCSCC2)c(F)c1', 'yield': '72.1%'} |
348 | Reaction information for CCN(CC)C/C=C\c1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CC1CCCN21
{'reactant': 'CCN(CC)C/C=C\\c1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1C(=O)OC)CC1CCCN21', 'reagent': 'C1COCCO1.CO.O.O.O=CO.[Li+].[OH-]', 'product': 'CCN(CC)C/C=C\\c1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CC1CCCN21', 'yield': '29.8%'} |
349 | Reaction information for CC1(Cc2ccccc2)COc2ccc(C(=O)O)cc21
{'reactant': 'COC(=O)c1ccc2c(c1)C(C)(Cc1ccccc1)CO2', 'reagent': 'C1CCOC1.CCO.Cl.O.[Na+].[OH-]', 'product': 'CC1(Cc2ccccc2)COc2ccc(C(=O)O)cc21', 'yield': '97.6%'} |
350 | Reaction information for CC(C)c1cc(C(=O)Nc2ccc(C(=O)O)c(F)c2)oc1C(C)C
{'reactant': 'COC(=O)c1ccc(NC(=O)c2cc(C(C)C)c(C(C)C)o2)cc1F', 'reagent': 'CCO.[Na+].[OH-]', 'product': 'CC(C)c1cc(C(=O)Nc2ccc(C(=O)O)c(F)c2)oc1C(C)C', 'yield': '86.6%'} |
351 | Reaction information for Cn1c(CNS(=O)(=O)c2ccc(Cl)cc2)cc(=O)c(O)c1C(=O)O
{'reactant': 'Cn1c(CNS(=O)(=O)c2ccc(Cl)cc2)cc(=O)c(OCc2ccccc2)c1C(=O)O', 'reagent': 'Cn1c(C(N)S(=O)(=O)c2ccccc2)cc(=O)c(O)c1C(=O)O', 'product': 'Cn1c(CNS(=O)(=O)c2ccc(Cl)cc2)cc(=O)c(O)c1C(=O)O', 'yield': '31.6%'} |
352 | Reaction information for O=C1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21
{'reactant': 'O=C(O)CCC(c1ccccc1)c1ccc(Cl)c(Cl)c1', 'reagent': 'Cc1ccccc1.Cl.O=S(Cl)Cl.S=C=S.[Al+3].[Cl-].[Cl-].[Cl-]', 'product': 'O=C1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21', 'yield': '48.0%'} |
353 | Reaction information for CCN1c2ncc(CCOc3ccc(-c4ccc(C=O)o4)cc3C)cc2C(=O)N(C)c2cccnc21
{'reactant': 'CCN1c2ncc(CCO)cc2C(=O)N(C)c2cccnc21.Cc1cc(-c2ccc(C=O)o2)ccc1O', 'reagent': 'C1CCOC1.CC(C)OC(=O)/N=N/C(=O)OC(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1', 'product': 'CCN1c2ncc(CCOc3ccc(-c4ccc(C=O)o4)cc3C)cc2C(=O)N(C)c2cccnc21', 'yi... |
354 | Reaction information for COC(=O)c1cccc(OC)c1C(=O)O
{'reactant': 'CO.COc1cccc(C(=O)O)c1C(=O)O', 'reagent': 'CO.Cl.Cl[Cu].O', 'product': 'COC(=O)c1cccc(OC)c1C(=O)O', 'yield': '66.0%'} |
355 | Reaction information for O=C(Cc1ccccc1)Nc1cccc(Br)c1
{'reactant': 'Nc1cccc(Br)c1.O=C(Cl)Cc1ccccc1', 'reagent': 'C1CCOC1.CCN(CC)CC.CCOC(C)=O.Cl', 'product': 'O=C(Cc1ccccc1)Nc1cccc(Br)c1', 'yield': '87.9%'} |
356 | Reaction information for O=C(NCc1cn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1)[C@H](Cc1cscn1)NC(=O)[C@H]1O[C@@H]1C(=O)O
{'reactant': 'CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](Cc1cscn1)C(=O)NCc1cn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1', 'reagent': '[Li+].[OH-]', 'product': 'O=C(NCc1cn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1)[C@H](Cc1cscn1)NC(=... |
357 | Reaction information for Cc1c(O)c(=O)ccn1C
{'reactant': 'Cc1c(OCc2ccccc2)c(=O)ccn1C', 'reagent': 'Br', 'product': 'Cc1c(O)c(=O)ccn1C', 'yield': '82.4%'} |
358 | Reaction information for O=C(CCCCCNC(=O)c1ccc(C=C2C(=O)Nc3ccc(F)cc32)cc1)NO
{'reactant': 'NO.O=C(O)CCCCCNC(=O)c1ccc(C=C2C(=O)Nc3ccc(F)cc32)cc1', 'reagent': 'CCN(CC)CC.CCOC(=O)Cl.CN(C)C=O.O.[Cl-].[Na+]', 'product': 'O=C(CCCCCNC(=O)c1ccc(C=C2C(=O)Nc3ccc(F)cc32)cc1)NO', 'yield': '46.0%'} |
359 | Reaction information for CCCc1c(N)ccc2c(=O)cc(C(=O)OCC)oc12
{'reactant': 'CCCc1c(NC(C)=O)ccc2c(=O)cc(C(=O)OCC)oc12', 'reagent': 'CCO.Cl.O', 'product': 'CCCc1c(N)ccc2c(=O)cc(C(=O)OCC)oc12', 'yield': '55.3%'} |
360 | Reaction information for CCCCCOC(=O)Cc1nc(-c2ccccc2)oc1-c1ccsc1
{'reactant': 'CCCCCO.O=C(O)Cc1nc(-c2ccccc2)oc1-c1ccsc1', 'reagent': 'O=S(Cl)Cl', 'product': 'CCCCCOC(=O)Cc1nc(-c2ccccc2)oc1-c1ccsc1', 'yield': '40.2%'} |
361 | Reaction information for CCN(CC)Cc1cccc(B2OCC(C)(C)CO2)c1
{'reactant': 'CC1(C)COB(c2cccc(CBr)c2)OC1.CCNCC', 'reagent': 'CCOC(C)=O', 'product': 'CCN(CC)Cc1cccc(B2OCC(C)(C)CO2)c1', 'yield': '65.0%'} |
362 | Reaction information for CCCc1nc(CC)n(-c2ccc(OC3CCCC(=O)C3)cc2)c(=O)c1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
{'reactant': 'CCCc1nc(CC)n(-c2ccc(OC3CCCC(O)C3)cc2)c(=O)c1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1', 'reagent': 'CC(=O)OI1(OC(C)=O)(OC(C)=O)OC(=O)c2ccccc21.CCOC(C)=O.ClCCl', 'product': 'CCCc1nc(CC)n(-c2ccc(OC3CCCC(=O)C3... |
363 | Reaction information for CCOC(=O)Nc1ccc2[nH]ccc2c1
{'reactant': 'CCOC(=O)Cl.Nc1ccc2[nH]ccc2c1', 'reagent': 'CCN(CC)CC.ClCCl', 'product': 'CCOC(=O)Nc1ccc2[nH]ccc2c1', 'yield': '35.2%'} |
364 | Reaction information for CC(C)(C)C(O)C(CC1CCCCC1)n1cncn1
{'reactant': 'CC(C)(C)C(=O)C(CC1CCCCC1)n1cncn1', 'reagent': 'CO.Cl.O.[BH4-].[Na+]', 'product': 'CC(C)(C)C(O)C(CC1CCCCC1)n1cncn1', 'yield': '75.3%'} |
365 | Reaction information for O=C(O)Cc1c(F)ccc(F)c1F
{'reactant': 'CCOC(=O)Cc1c(F)ccc(F)c1F', 'reagent': 'CCO.Cl.[Na+].[OH-]', 'product': 'O=C(O)Cc1c(F)ccc(F)c1F', 'yield': '98.5%'} |
366 | Reaction information for C[C@@H](NC(=O)OC(C)(C)C)c1cc(C(=O)O)no1
{'reactant': 'CCOC(=O)c1cc([C@@H](C)NC(=O)OC(C)(C)C)on1', 'reagent': 'C1CCOC1.[Li+].[OH-]', 'product': 'C[C@@H](NC(=O)OC(C)(C)C)c1cc(C(=O)O)no1', 'yield': '44.8%'} |
367 | Reaction information for COCCN(C)CCCN1C(=O)c2ccccc2C1=O
{'reactant': 'CNCCOC.O=C1c2ccccc2C(=O)N1CCCBr', 'reagent': 'CN(C)C=O.O=C([O-])[O-].[K+].[K+]', 'product': 'COCCN(C)CCCN1C(=O)c2ccccc2C1=O', 'yield': '100.0%'} |
368 | Reaction information for CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)c(F)c1)C2
{'reactant': 'CCOC(=O)Cc1ccc(N2Cc3c(c(OCC)c4ccccc4c3OCC)C2=O)cc1F', 'reagent': 'CC(=O)O.CO.Cl.ClCCl', 'product': 'CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)c(F)c1)C2', 'yield': '87.1%'} |
369 | Reaction information for CN1CCc2c(c3cc(Cl)ccc3n2CC(=O)NC2CCCCC2)C1
{'reactant': 'CCOC(=O)Cn1c2c(c3cc(Cl)ccc31)CN(C)CC2.NC1CCCCC1', 'reagent': 'O=C(Cl)C(=O)Cl.O=C(O)C(F)(F)F', 'product': 'CN1CCc2c(c3cc(Cl)ccc3n2CC(=O)NC2CCCCC2)C1', 'yield': '2.0%'} |
370 | Reaction information for CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2cc(C)cc(-c3cccc(CN4CCN(C)CC4)c3)c2)c1
{'reactant': 'CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2cc(C)cc(-c3cccc(C=O)c3)c2)c1.CN1CCNCC1', 'reagent': 'CC(=O)O.CC(=O)O[BH-](OC(C)=O)OC(C)=O.ClCCl.[Na+]', 'product': 'CCc1nc2c(cnn2CC)c(NC2... |
371 | Reaction information for CC(C)c1nc2c(C(=O)NCC3CCN(CC4CCN(C(=O)Nc5ccccc5F)CC4)CC3)cccc2[nH]1
{'reactant': 'CC(C)c1nc2c(C(=O)NCC3CCN(CC4CCNCC4)CC3)cccc2[nH]1.O=C=Nc1ccccc1F', 'reagent': 'CCN(C(C)C)C(C)C.CN(C)C=O', 'product': 'CC(C)c1nc2c(C(=O)NCC3CCN(CC4CCN(C(=O)Nc5ccccc5F)CC4)CC3)cccc2[nH]1', 'yield': '21.9%'} |
372 | Reaction information for O=C(Cc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)Nc1ccnc(Cl)c1
{'reactant': 'Nc1ccnc(Cl)c1.O=C(O)Cc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1', 'reagent': 'CCN=C=NCCCN(C)C.Cl.ClCCl', 'product': 'O=C(Cc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)Nc1ccnc(Cl)c1', 'yield': '72.5%'} |
373 | Reaction information for Fc1ccc(-c2nc3cc(C4CCNCC4)ccn3c2-c2ccncn2)cc1
{'reactant': 'O=C(OCc1ccccc1)N1CCC(c2ccn3c(-c4ccncn4)c(-c4ccc(F)cc4)nc3c2)CC1', 'reagent': 'CC#N.C[Si](C)(C)I.Sc1ccccc1', 'product': 'Fc1ccc(-c2nc3cc(C4CCNCC4)ccn3c2-c2ccncn2)cc1', 'yield': '94.3%'} |
374 | Reaction information for CC(=O)Oc1cc(OC(C)C)c2c(=O)[nH]cnc2c1
{'reactant': 'CC(=O)OC(C)=O.CC(C)Oc1cc(O)cc2nc[nH]c(=O)c12', 'reagent': 'O.c1ccncc1', 'product': 'CC(=O)Oc1cc(OC(C)C)c2c(=O)[nH]cnc2c1', 'yield': '65.5%'} |
375 | Reaction information for CN(CCOCCNC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(OC(F)(F)F)cc3s1)n2C)C(=O)OC(C)(C)C
{'reactant': 'CN(CCOCCN)C(=O)OC(C)(C)C.Cn1c(Nc2nc3ccc(OC(F)(F)F)cc3s2)nc2cc(C(=O)O)ccc21', 'reagent': 'CCN(C(C)C)C(C)C.CN(C)C(On1nnc2ccccc21)=[N+](C)C.F[P-](F)(F)(F)(F)F', 'product': 'CN(CCOCCNC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(... |
376 | Reaction information for CCOCC(=O)Nc1c(NCCOCc2ccccc2)cc(C)nc1Oc1ccccc1
{'reactant': 'CCOCC(=O)Cl.Cc1cc(NCCOCc2ccccc2)c(N)c(Oc2ccccc2)n1', 'reagent': 'CCN(CC)CC.ClCCl', 'product': 'CCOCC(=O)Nc1c(NCCOCc2ccccc2)cc(C)nc1Oc1ccccc1', 'yield': '84.5%'} |
377 | Reaction information for Cc1nc(N)c2nc3n(c2c1C)CCCN(S(C)(=O)=O)C3
{'reactant': 'CS(=O)(=O)Cl.Cc1nc(N)c2nc3n(c2c1C)CCCNC3', 'reagent': 'CCN(CC)CC.CN(C)C=O.Cl.Cl', 'product': 'Cc1nc(N)c2nc3n(c2c1C)CCCN(S(C)(=O)=O)C3', 'yield': '33.3%'} |
378 | Reaction information for CCOCCOc1ccc(COc2ccc3c(c2)C=C(C(=O)O)CCS3(=O)=O)cc1
{'reactant': 'CCOCCOc1ccc(COc2ccc3c(c2)C=C(C(=O)OC)CCS3(=O)=O)cc1', 'reagent': 'C1CCOC1.CO.O=C([O-])[O-].[K+].[K+]', 'product': 'CCOCCOc1ccc(COc2ccc3c(c2)C=C(C(=O)O)CCS3(=O)=O)cc1', 'yield': '37.6%'} |
379 | Reaction information for CC1(C)CC(c2ccc3ccccc3[n+]2[O-])c2cc(C#N)ccc2O1
{'reactant': 'CC1(C)CC(c2ccc3ccccc3n2)c2cc(C#N)ccc2O1.O=C(OO)c1cccc(Cl)c1', 'reagent': 'ClCCl', 'product': 'CC1(C)CC(c2ccc3ccccc3[n+]2[O-])c2cc(C#N)ccc2O1', 'yield': '69.7%'} |
380 | Reaction information for CCN(CC)Cc1sc(-c2nc(-c3ccc(CNS(C)(=O)=O)cc3)no2)cc1C
{'reactant': 'CCN(CC)Cc1sc(-c2nc(-c3ccc(CN)cc3)no2)cc1C.CS(=O)(=O)Cl', 'reagent': 'CCN(C(C)C)C(C)C.ClCCl', 'product': 'CCN(CC)Cc1sc(-c2nc(-c3ccc(CNS(C)(=O)=O)cc3)no2)cc1C', 'yield': '13.7%'} |
381 | Reaction information for Cc1c(Cc2ccccc2)nnc(N2CCC(C(=O)O)CC2)c1C
{'reactant': 'CCOC(=O)C1CCN(c2nnc(Cc3ccccc3)c(C)c2C)CC1', 'reagent': 'CCO.O.[Na+].[OH-]', 'product': 'Cc1c(Cc2ccccc2)nnc(N2CCC(C(=O)O)CC2)c1C', 'yield': '83.3%'} |
382 | Reaction information for Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1CO
{'reactant': 'CCOC(=O)c1cc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)ccc1C', 'reagent': 'C1CCOC1.CCOCC.O.O=S(=O)([O-])[O-].[Al+3].[H-].[H-].[H-].[H-].[Li+].[Mg+2]', 'product': 'Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1CO', 'yield': '84.0%... |
383 | Reaction information for COc1ccc(N2CCN(C(=O)CNC(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C2)cc1OC1CCCC1
{'reactant': 'CC(C)(C)OC(=O)NCC(=O)O.COc1ccc(N2CCN[C@@H](Cc3ccccc3)C2)cc1OC1CCCC1', 'reagent': 'CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.F[P-](F)(F)(F)(F)F', 'product': 'COc1ccc(N2CCN(C(=O)CNC(=O)OC(C)(C)C)[C@@H... |
384 | Reaction information for COc1cc(-c2ncc(OCc3cccc(C(CC(=O)O)C4CC4)c3)cc2CC(C)(C)C)ccn1
{'reactant': 'CCOC(=O)CC(c1cccc(COc2cnc(-c3ccnc(OC)c3)c(CC(C)(C)C)c2)c1)C1CC1', 'reagent': 'C1CCOC1.CO.Cl.[Na+].[OH-]', 'product': 'COc1cc(-c2ncc(OCc3cccc(C(CC(=O)O)C4CC4)c3)cc2CC(C)(C)C)ccn1', 'yield': '82.4%'} |
385 | Reaction information for CC(=O)c1cc([N+](=O)[O-])ccc1O
{'reactant': 'CC(=O)Cl.O=[N+]([O-])c1ccc(O)cc1', 'reagent': 'CC(Cl)Cl.[Al+3].[Cl-].[Cl-].[Cl-]', 'product': 'CC(=O)c1cc([N+](=O)[O-])ccc1O', 'yield': '78.0%'} |
386 | Reaction information for N=C(NO)c1ccc(-c2cn3cc(I)ccc3n2)cc1
{'reactant': 'N#Cc1ccc(-c2cn3cc(I)ccc3n2)cc1.NO', 'reagent': 'CO.Cl.O=C([O-])[O-].[K+].[K+]', 'product': 'N=C(NO)c1ccc(-c2cn3cc(I)ccc3n2)cc1', 'yield': '73.8%'} |
387 | Reaction information for COc1ccc(-c2ccc(-c3ccc(OC)cc3)c(-c3ccc(OCCN4CCCC4)cc3)n2)cc1
{'reactant': 'COc1ccc(-c2ccc(-c3ccc(OC)cc3)c(-c3ccc(O)cc3)n2)cc1.ClCCN1CCCC1', 'reagent': 'CCC(C)=O.CCO.Cl.Cl.ClCCl.O=C([O-])[O-].[K+].[K+]', 'product': 'COc1ccc(-c2ccc(-c3ccc(OC)cc3)c(-c3ccc(OCCN4CCCC4)cc3)n2)cc1', 'yield': '60.2%'} |
388 | Reaction information for CC(C)CC(C(=O)O)c1cc(-c2ccc(F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1
{'reactant': 'COC(=O)C(CC(C)C)c1cc(-c2ccc(F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1', 'reagent': 'C1CCOC1.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Na+].[OH-]', 'product': 'CC(C)CC(C(=O)O)c1cc(-c2ccc(F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1', 'yield': '77.2%'} |
389 | Reaction information for CC(Oc1cc(-n2nc(C(F)F)n(C)c2=O)c(F)cc1Cl)C(=O)O
{'reactant': 'CC(Oc1cc(-n2nc(C(F)F)n(C)c2=O)c(F)cc1Cl)C(=O)OC(C)(C)C', 'reagent': 'O=C(O)C(F)(F)F', 'product': 'CC(Oc1cc(-n2nc(C(F)F)n(C)c2=O)c(F)cc1Cl)C(=O)O', 'yield': '68.4%'} |
390 | Reaction information for CC(C)(C)[Si](C)(C)Oc1ccc2[nH]ncc2c1
{'reactant': 'CC(C)(C)[Si](C)(C)Cl.Oc1ccc2[nH]ncc2c1', 'reagent': 'CN(C)C=O.c1c[nH]cn1', 'product': 'CC(C)(C)[Si](C)(C)Oc1ccc2[nH]ncc2c1', 'yield': '93.1%'} |
391 | Reaction information for ClCCOc1ccc(Cc2ccc(-c3ncco3)cc2)cc1
{'reactant': 'ClCCBr.Oc1ccc(Cc2ccc(-c3ncco3)cc2)cc1', 'reagent': 'CC#N.O.O=C([O-])[O-].[Cs+].[Cs+]', 'product': 'ClCCOc1ccc(Cc2ccc(-c3ncco3)cc2)cc1', 'yield': '98.3%'} |
392 | Reaction information for COc1ccc(N2CCCC2)c(OC)c1
{'reactant': 'C1CCNC1.COc1ccc(Br)c(OC)c1', 'reagent': 'CC(C)(C)[O-].Cc1ccccc1.O.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Na+].[Pd].[Pd].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1', 'prod... |
393 | Reaction information for CCCCN(Cc1ccc(C(F)(F)F)cc1F)C(=O)COc1ccc(C[C@H](OCC)C(=O)O)cc1
{'reactant': 'CCCCN(Cc1ccc(C(F)(F)F)cc1F)C(=O)COc1ccc(C[C@H](OCC)C(=O)OCC)cc1', 'reagent': 'CC#N.Cl.[Li+].[OH-]', 'product': 'CCCCN(Cc1ccc(C(F)(F)F)cc1F)C(=O)COc1ccc(C[C@H](OCC)C(=O)O)cc1', 'yield': '97.0%'} |
394 | Reaction information for COc1ccc(CN(c2ccon2)S(=O)(=O)c2ccc3c(ccc(=O)n3-c3cc(F)c(-c4cc(F)cc(F)c4)cc3O)c2)cc1
{'reactant': 'COc1ccc(CN(c2ccon2)S(=O)(=O)c2ccc3c(ccc(=O)n3-c3cc(F)c(Br)cc3O)c2)cc1.OB(O)c1cc(F)cc(F)c1', 'reagent': 'CN(C)C=O.ClCCl.O.O=C([O-])[O-].[K+].[K+]', 'product': 'COc1ccc(CN(c2ccon2)S(=O)(=O)c2ccc3c(ccc... |
395 | Reaction information for Oc1ccc(C2CC2)cc1
{'reactant': 'CC(=O)Oc1ccc(C2CC2)cc1', 'reagent': 'C1CCOC1.CC(=O)[O-].CCOCC.CO.[Na+]', 'product': 'Oc1ccc(C2CC2)cc1', 'yield': '98.8%'} |
396 | Reaction information for Cc1nn(C)c(C)c1C(=O)Nc1cccc(C(=O)c2ccc3c(c2)NC(=O)C3)c1
{'reactant': 'Cc1nn(C)c(C)c1C(=O)O.Nc1cccc(C(=O)c2ccc3c(c2)NC(=O)C3)c1', 'reagent': 'C1CCOC1.O=S(Cl)Cl', 'product': 'Cc1nn(C)c(C)c1C(=O)Nc1cccc(C(=O)c2ccc3c(c2)NC(=O)C3)c1', 'yield': '55.8%'} |
397 | Reaction information for Nc1ccc(F)c(C23CN(c4ncc(F)cn4)CC2CSC(NC(=O)c2ccccc2)=N3)c1
{'reactant': 'Fc1cnc(Cl)nc1.Nc1ccc(F)c(C23CNCC2CSC(NC(=O)c2ccccc2)=N3)c1', 'reagent': 'C1COCCO1.CCN(C(C)C)C(C)C.O', 'product': 'Nc1ccc(F)c(C23CN(c4ncc(F)cn4)CC2CSC(NC(=O)c2ccccc2)=N3)c1', 'yield': '66.3%'} |
398 | Reaction information for CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1
{'reactant': 'CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Cl.N#CC(O)c1cccc(Oc2ccccc2)c1', 'reagent': 'Cc1ccccc1.c1ccncc1', 'product': 'CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1', 'yield': '93.6%'} |
399 | Reaction information for Cc1ccc(F)cc1C(C)(C)CC(O)(CC#Cc1cccc(F)c1N)C(F)(F)F
{'reactant': 'Cc1ccc(F)cc1C(C)(C)CC(O)(CC#Cc1cccc(F)c1[N+](=O)[O-])C(F)(F)F', 'reagent': 'CC(=O)O.CCO.CCOCC.[Fe]', 'product': 'Cc1ccc(F)cc1C(C)(C)CC(O)(CC#Cc1cccc(F)c1N)C(F)(F)F', 'yield': '91.6%'} |
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