Ethanolamine → 2-tert-butyl-4-[(2-hydroxyethyl)amino]-5-phenylisothiazol-3(2H)-one 1,1-dioxide
반응식
[C:5]([CH3:6])([CH3:7])([CH3:8])[N:9]1[S:10](=[O:22])(=[O:23])[C:11]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)=[C:12]([Cl:15])[C:13]1=[O:14].[NH2:1][CH2:2][CH2:3][OH:4]>>[NH:1]([CH2:2][CH2:3][OH:4])[C:12]1=[C:11]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[S:10](=[O:22])(=[O:23])[N:9]([C:5]([CH3:6])([CH3:7])[CH3:8])[C:13]1=[O:14]참가 물질
3
출처 및 근거
- ORD 기록
- ord-745b583ae13b43f180239c02cc63704d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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