4-(Hydroxymethyl)benzeneboronic acid → 2-Tert-butyl-5-(4-hydroxymethyl-phenyl)-1,1-dioxo-1,2-dihydro-1lambda6-isothiazol-3-one
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[S:6](=[O:12])(=[O:13])[C:7]([Cl:11])=[CH:8][C:9]1=[O:10].[OH:14][CH2:15][c:16]1[cH:17][cH:18][c:19]([B:22]([OH:23])[OH:24])[cH:20][cH:21]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[S:6](=[O:12])(=[O:13])[C:7]([c:19]2[cH:18][cH:17][c:16]([CH2:15][OH:14])[cH:21][cH:20]2)=[CH:8][C:9]1=[O:10]참가 물질
3
출처 및 근거
- ORD 기록
- ord-a8dca7744cfb44b8bee1e5b576d989af
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
반응 노트
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