Acetonitrile → 4-[(2-Acetyl-1-benzofuran-5-yl)amino]-2-butyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide
반응식
[CH2:1]([CH2:2][CH2:3][CH3:4])[N:5]1[S:6](=[O:18])(=[O:19])[C:7]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)=[C:8]([Cl:11])[C:9]1=[O:10].[CH3:33][C:34]#[N:35].[NH2:20][c:21]1[cH:22][cH:23][c:24]2[c:25]([cH:26][c:27]([C:29]([CH3:30])=[O:31])[o:28]2)[cH:32]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[N:5]1[S:6](=[O:18])(=[O:19])[C:7]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)=[C:8]([NH:20][c:21]2[cH:22][cH:23][c:24]3[c:25]([cH:26][c:27]([C:29]([CH3:30])=[O:31])[o:28]3)[cH:32]2)[C:9]1=[O:10]참가 물질
4
출처 및 근거
- ORD 기록
- ord-8383ccacf4134c19ad0f4b6620506935
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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