Trifluoroacetic acid → 2-(5-Phenylpyridine-3-carboxamido)-4-(thiophen-2-yl)benzoic acid

반응식

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

참가 물질

반응물 2

HCID 6422Trifluoroacetic acid

HCID 58508694Tert-butyl 2-(5-phenylpyridine-3-carboxamido)-4-(thiophen-2-yl)benzoate

생성물 1

HCID 585084942-(5-Phenylpyridine-3-carboxamido)-4-(thiophen-2-yl)benzoic acid

출처 및 근거

ORD 기록: ord-5ad7c56cb929479a82ba3c5666546220
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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