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

반응식

[Br:1][CH2:2][c:3]1[c:4]([Cl:10])[cH:5][c:6]([F: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]([Cl:10])[cH:5][c:6]([F: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

반응물 2

HCID 140007Butanethioic acid, 3-oxo-, S-(1,1-dimethylethyl) ester

HCID 27250621-(Bromomethyl)-2-chloro-4-fluorobenzene

생성물 1

HCID 866314542-(2-chloro-4-fluorobenzyl)-3-oxothiobutyric acid S-tert-butyl Ester

출처 및 근거

ORD 기록: ord-4400dfb788a04abaa1b35281cea40d46
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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