Dichloromethane → 1,2,3-Trifluoro-4-(trifluoromethyl)benzene

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 1361842-Chloro-N,N-diethyl-1,1,2-trifluoroethan-1-amine

HCID 38372313Difluoro-(2,3,4-trifluorophenyl)methanol

생성물 1

HCID 27340251,2,3-Trifluoro-4-(trifluoromethyl)benzene

출처 및 근거

ORD 기록: ord-19728ca7dc8e456f91a185111fdef9e5
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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