Acetonitrile → (5-Chloromethyl-pyridin-3-yl)-(4-fluoro-phenyl)-methanone

반응식

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

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 24386Thionyl Chloride

HCID 59200200(4-Fluoro-phenyl)-(5-hydroxymethyl-pyridin-3-yl)-methanone

생성물 1

HCID 59200177(5-Chloromethyl-pyridin-3-yl)-(4-fluoro-phenyl)-methanone

출처 및 근거

ORD 기록: ord-e29e6b81921b4756854152a38d2c9acd
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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