Butanethioic acid, 3-oxo-, S-(1,1-dimethylethyl) ester → 2-(2-chloro-4-methanesulfonylbenzyl)-3-oxothiobutyric acid S-tert-butyl Ester
반응식
[Br:1][CH2:2][c:3]1[c:4]([Cl:13])[cH:5][c:6]([S:9](=[O:10])(=[O:11])[CH3:12])[cH:7][cH:8]1.[C:14]([CH3:15])([CH3:16])([CH3:17])[S:18][C:19]([CH2:20][C:21]([CH3:22])=[O:23])=[O:24]>>[CH2:2]([c:3]1[c:4]([Cl:13])[cH:5][c:6]([S:9](=[O:10])(=[O:11])[CH3:12])[cH:7][cH:8]1)[CH:20]([C:19]([S:18][C:14]([CH3:15])([CH3:16])[CH3:17])=[O:24])[C:21]([CH3:22])=[O:23]참가 물질
3
출처 및 근거
- ORD 기록
- ord-14513c87fbee4a798e8c1e14cf6a840d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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