Thiophenol → 2-tert-Butyl-5-phenyl-4-{[3-(phenylthio)propyl]amino}isothiazol-3(2H)-one 1,1-dioxide
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[S:6](=[O:22])(=[O:23])[C:7]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)=[C:8]([NH:11][CH2:12][CH2:13][CH2:14][Cl:15])[C:9]1=[O:10].[SH:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[S:6](=[O:22])(=[O:23])[C:7]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)=[C:8]([NH:11][CH2:12][CH2:13][CH2:14][S:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[C:9]1=[O:10]참가 물질
3
출처 및 근거
- ORD 기록
- ord-10c72d43903e4363aea33fcf4da0b090
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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