Dichloromethane → 5-Chloro-2-(piperazin-1-yl)benzonitrile

HRID 106220

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 667578634-(4-Chloro-2-cyano-phenyl)-piperazine-1-carboxylic acid tert-butyl ester

생성물 1

HCID 193671275-Chloro-2-(piperazin-1-yl)benzonitrile

출처 및 근거

ORD 기록: ord-be8cf6c492fa4cefa4043de44c714ab8
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

연결된 노트

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