4-Chlorophenol → 2-tert-Butyl-4-{[3-(4-chlorophenoxy)propyl]amino}-5-phenylisothiazol-3(2H)-one 1,1-dioxide
반응식
[Br:1][CH2:2][CH2:3][CH2:4][NH:5][C:6]1=[C:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[S:9](=[O:17])(=[O:18])[N:8]([C:19]([CH3:20])([CH3:21])[CH3:22])[C:7]1=[O:23].[OH:24][c:25]1[cH:26][cH:27][c:28]([Cl:29])[cH:30][cH:31]1>>[CH2:2]([CH2:3][CH2:4][NH:5][C:6]1=[C:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[S:9](=[O:17])(=[O:18])[N:8]([C:19]([CH3:20])([CH3:21])[CH3:22])[C:7]1=[O:23])[O:24][c:25]1[cH:26][cH:27][c:28]([Cl:29])[cH:30][cH:31]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-958d3264fd2b472997a3eef5905c5145
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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