Ethanol → alpha-[[(2-Amino-phenyl)-thio]-methyl]-4-methoxy benzeneacetic acid

반응식

[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:9]([C:10](=[O:11])[OH:12])=[CH2:13])[cH:7][cH:8]1.[CH3:22][CH2:23][OH:24].[NH2:14][c:15]1[c:16]([SH:21])[cH:17][cH:18][cH:19][cH:20]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]([C:10](=[O:11])[OH:12])[CH2:13][S:21][c:16]2[c:15]([NH2:14])[cH:20][cH:19][cH:18][cH:17]2)[cH:7][cH:8]1

참가 물질

반응물 3

HCID 702Ethanol

HCID 87132-Aminothiophenol

HCID 145737872-(4-Methoxyphenyl)prop-2-enoic acid

생성물 1

HCID 15052122alpha-[[(2-Amino-phenyl)-thio]-methyl]-4-methoxy benzeneacetic acid

출처 및 근거

ORD 기록: ord-610c99d0a9534c27b2958f21aec575f2
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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