Hydroxide → 3-[Tert-butyl-(2,4-dichlorobenzoyl)amino]-5-phenyl-thiophene-2-carboxylic acid

반응식

[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7](-[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:8][c:9]1[N:10]([C:11]([c:12]1[c:13]([Cl:19])[cH:14][c:15]([Cl:18])[cH:16][cH:17]1)=[O:20])[C:21]([CH3:22])([CH3:23])[CH3:24].[Li+:32].[OH-:31]>>[O:2]=[C:3]([OH:4])[c:5]1[s:6][c:7](-[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:8][c:9]1[N:10]([C:11]([c:12]1[c:13]([Cl:19])[cH:14][c:15]([Cl:18])[cH:16][cH:17]1)=[O:20])[C:21]([CH3:22])([CH3:23])[CH3:24]

참가 물질

반응물 3

HCID 961Hydroxide

HCID 28486Lithium ion

HCID 207757533-[tert-Butyl-(2,4-dichloro-benzoyl)-amino]-5-phenyl-thiophene-2-carboxylic acid methyl ester

생성물 1

HCID 160748013-[Tert-butyl-(2,4-dichlorobenzoyl)amino]-5-phenyl-thiophene-2-carboxylic acid

출처 및 근거

ORD 기록: ord-83a8a76646e14f2797590fbad7e89cda
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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