Trifluoroacetic acid → 4-(2,4-Difluorophenyl)-2-(2,3-dimethylbenzamido)benzoic acid

반응식

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

참가 물질

반응물 2

HCID 6422Trifluoroacetic acid

HCID 67343241Tert-butyl 4-(2,4-difluorophenyl)-2-(2,3-dimethylbenzamido)benzoate

생성물 1

HCID 578793894-(2,4-Difluorophenyl)-2-(2,3-dimethylbenzamido)benzoic acid

출처 및 근거

ORD 기록: ord-8a4f35222f4d47a5bf479aaa471c6d8e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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