Trifluoroacetic acid → 2-(2-Fluoro-4-(3-oxo-3-(5-(4-(trifluoromethyl)phenyl)thien-2-yl)propyl)-phenoxy)acetic acid

반응식

[F:1][c:2]1[c:3]([O:4][CH2:5][C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[cH:13][cH:14][c:15]([CH2:17][CH2:18][C:19]([c:20]2[s:21][c:22](-[c:25]3[cH:26][cH:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]3)[cH:23][cH:24]2)=[O:35])[cH:16]1.[OH:36][C:37]([C:38]([F:39])([F:40])[F:41])=[O:42]>>[F:1][c:2]1[c:3]([O:4][CH2:5][C:6](=[O:7])[OH:8])[cH:13][cH:14][c:15]([CH2:17][CH2:18][C:19]([c:20]2[s:21][c:22](-[c:25]3[cH:26][cH:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]3)[cH:23][cH:24]2)=[O:35])[cH:16]1

참가 물질

반응물 2

HCID 6422Trifluoroacetic acid

HCID 59180362Tert-butyl 2-(2-fluoro-4-(3-oxo-3-(5-(4-(trifluoromethyl)phenyl)thien-2-yl)propyl)phenoxy)acetate

생성물 1

HCID 591803212-(2-Fluoro-4-(3-oxo-3-(5-(4-(trifluoromethyl)phenyl)thien-2-yl)propyl)-phenoxy)acetic acid

출처 및 근거

ORD 기록: ord-389dac0f1ee74e8989737a43a6611f0c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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