N-Butylbenzylamine → 4-({3-[Benzyl(butyl)amino]propyl}amino)-2-tert-butyl-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].[CH2:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[NH:31][CH2:32][CH2:33][CH2:34][CH3:35]>>[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])[N:31]([CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[CH2:32][CH2:33][CH2:34][CH3:35]참가 물질
3
출처 및 근거
- ORD 기록
- ord-850735516d654d938197e90b3bb95a18
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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