Dichloromethane → N-{1-[2-(aminomethyl)-4-chlorobenzyl]-2,2,2-trifluoroethyl}-N-(4-methoxyphenyl)amine

반응식

[Cl:39][CH2:40][Cl:41].[Cl:8][c:9]1[cH:10][cH:11][c:12]([CH2:24][CH:25]([C:26]([F:27])([F:28])[F:29])[NH:30][c:31]2[cH:32][cH:33][c:34]([O:37][CH3:38])[cH:35][cH:36]2)[c:13]([CH2:14][NH:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[cH:23]1.[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7]>>[Cl:8][c:9]1[cH:10][cH:11][c:12]([CH2:24][CH:25]([C:26]([F:27])([F:28])[F:29])[NH:30][c:31]2[cH:32][cH:33][c:34]([O:37][CH3:38])[cH:35][cH:36]2)[c:13]([CH2:14][NH2:15])[cH:23]1

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 18672399Tert-butyl 5-chloro-2-{2-[(4-methoxyphenyl)amino]-3,3,3-trifluoropropyl}benzylcarbamate

생성물 1

HCID 18672307N-{1-[2-(aminomethyl)-4-chlorobenzyl]-2,2,2-trifluoroethyl}-N-(4-methoxyphenyl)amine

출처 및 근거

ORD 기록: ord-68736e7dd2c746b482ba961180fd9bb3
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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