4'-Mercaptoacetanilide → 6-[4-(4-Acetamido-phenylmercapto)-butoxy]-4,4,8-trimethyl-4H-3,1-benzoxazin-2-one
반응식
[C:21]([CH3:22])(=[O:23])[NH:24][c:25]1[cH:26][cH:27][c:28]([SH:31])[cH:29][cH:30]1.[Cl:1][CH2:2][CH2:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][c:9]([CH3:20])[c:10]2[c:11]([cH:19]1)[C:12]([CH3:17])([CH3:18])[O:13][C:14](=[O:16])[NH:15]2>>[CH2:2]([CH2:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][c:9]([CH3:20])[c:10]2[c:11]([cH:19]1)[C:12]([CH3:17])([CH3:18])[O:13][C:14](=[O:16])[NH:15]2)[S:31][c:28]1[cH:27][cH:26][c:25]([NH:24][C:21]([CH3:22])=[O:23])[cH:30][cH:29]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-ea0dec79989e44f6bfeff36807a67c83
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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