Butanethioic acid, 3-oxo-, S-(1,1-dimethylethyl) ester → 2-(4-chloro-2-fluorobenzyl)-3-oxothiobutyric acid S-tert-butyl Ester

HRID 294193

반응식

HRID 294193 반응식
[Br:1][CH2:2][c:3]1[c:4]([F:10])[cH:5][c:6]([Cl:9])[cH:7][cH:8]1.[C:11]([CH3:12])([CH3:13])([CH3:14])[S:15][C:16]([CH2:17][C:18]([CH3:19])=[O:20])=[O:21]>>[CH2:2]([c:3]1[c:4]([F:10])[cH:5][c:6]([Cl:9])[cH:7][cH:8]1)[CH:17]([C:16]([S:15][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:21])[C:18]([CH3:19])=[O:20]

참가 물질

3

반응물 2

HCID 140007Butanethioic acid, 3-oxo-, S-(1,1-dimethylethyl) esterHCID 27365514-Chloro-2-fluorobenzyl bromide

생성물 1

HCID 866314512-(4-chloro-2-fluorobenzyl)-3-oxothiobutyric acid S-tert-butyl Ester

출처 및 근거

ORD 기록
ord-bcc71afb6f05439aac9c243d7e579ec6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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