Hydrochloric Acid → 4-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid

HRID 319834Notes

Reaction equation

HRID 319834 reaction equation
[C:34]([CH3:35])([CH3:36])([CH3:37])[O:38][C:39](=[O:40])[NH:41][CH:42]([C:43]([C:44](=[O:45])[OH:46])([CH3:47])[CH3:48])[C:49](=[O:50])[OH:51].[CH3:53][N:54]([CH3:55])[CH2:56][CH2:57][CH2:58][N:59]=[C:60]=[N:61][CH2:62][CH3:63].[CH3:74][CH2:75][N:76]([CH2:77][CH3:78])[CH2:79][CH3:80].[Cl:81][CH2:82][Cl:83].[ClH:52].[F:1][c:2]1[c:3]([C:9]2=[CH:10][CH:11]([c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[N:12]([C:14]([O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20])[CH2:13]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1.[OH:27][C:28]([C:29]([F:30])([F:31])[F:32])=[O:33].[OH:64][n:65]1[c:66]2[n:67][cH:68][cH:69][cH:70][c:71]2[n:72][n:73]1>>[F:1][c:2]1[c:3]([C:9]2=[CH:10][CH:11]([c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[N:12]([C:49]([CH:42]([NH:41][C:39]([O:38][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:40])[C:43]([C:44](=[O:45])[OH:46])([CH3:47])[CH3:48])=[O:50])[CH2:13]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 181649HOAtHCID 586411793-((Tert-butoxycarbonyl)amino)-2,2-dimethylsuccinic acidHCID 59001784tert-butyl 4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxylate

Product 1

HCID 1784537814-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid

Sources & evidence

ORD record
ord-09d914c1595143448b02dd6a279b497c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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