Methanol → N-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-2-(4-chlorophenyl)ethylamine

반응식

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

참가 물질

반응물 3

HCID 887Methanol

HCID 1970104-Chlorostyrene oxide

HCID 200274Benzyl-[2-(3,4-dimethoxy-phenyl)-ethyl]-amine

생성물 1

HCID 21450201N-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-2-(4-chlorophenyl)ethylamine

출처 및 근거

ORD 기록: ord-e3cda6a8b8ae4fd292acc71e54b706bd
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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