Dichloromethane → 1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-2-hydroxy-3,3-dimethylbutan-1-one

HRID 667927

Reaction equation

HRID 667927 reaction equation
[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[Cl:50][CH2:51][Cl: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])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[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:41][CH:42]([C:43]([OH:44])=[O:45])[C:46]([CH3:47])([CH3:48])[CH3:49]>>[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])[CH:42]([OH:41])[C:46]([CH3:47])([CH3:48])[CH3:49])[CH2:13]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 107211Butanoic acid, 2-hydroxy-3,3-dimethyl-HCID 59001784tert-butyl 4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxylate

Product 1

HCID 1784471611-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-2-hydroxy-3,3-dimethylbutan-1-one

Sources & evidence

ORD record
ord-39b04ad392274244bc9ce40f3ea20d0e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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