Dichloromethane → Methanethione, 1-piperazinyl[2-(trifluoromethyl)phenyl]-

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 865972314-(2-Trifluoromethylthiobenzoyl)piperazine-1-carboxylic acid tert-butyl ester

생성물 1

HCID 86025958Methanethione, 1-piperazinyl[2-(trifluoromethyl)phenyl]-

출처 및 근거

ORD 기록: ord-e6862111e8334cb09c8615997fe5328a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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