Water → Ethyl 3-oxo-3-(2,4,5-trifluoro-3-methylphenyl)propanoate

반응식

[F:1][c:2]1[c:3]([C:4](=[O:5])[CH:6]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[C:12]([O:13][CH2:14][CH3:15])=[O:16])[cH:17][c:18]([F:23])[c:19]([F:22])[c:20]1[CH3:21].[OH2:35].[c:24]1([CH3:25])[cH:26][cH:27][c:28]([S:29]([OH:30])(=[O:31])=[O:32])[cH:33][cH:34]1>>[F:1][c:2]1[c:3]([C:4](=[O:5])[CH2:6][C:7](=[O:8])[O:9][CH2:10][CH3:11])[cH:17][c:18]([F:23])[c:19]([F:22])[c:20]1[CH3:21]

참가 물질

반응물 3

HCID 962Water

HCID 6101p-Toluenesulfonic acid

HCID 14052571HCID 14052571, 화합물

생성물 1

HCID 14052572Ethyl 3-oxo-3-(2,4,5-trifluoro-3-methylphenyl)propanoate

출처 및 근거

ORD 기록: ord-f6332e5eceb245eca598cfd87da3932d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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