4'-Mercaptoacetanilide → 7-[4-(4-Acetamido-phenylmercapto)-butoxy]-4,4-dimethyl-4H-3,1-benzoxazin-2-one
Reaction equation
[C:24]([CH3:25])(=[O:26])[NH:27][c:28]1[cH:29][cH:30][c:31]([SH:34])[cH:32][cH:33]1.[CH3:1][S:2]([O:3][CH2:6][CH2:7][CH2:8][CH2:9][O:10][c:11]1[cH:12][c:13]2[c:14]([cH:22][cH:23]1)[C:15]([CH3:20])([CH3:21])[O:16][C:17](=[O:19])[NH:18]2)(=[O:4])=[O:5]>>[CH2:6]([CH2:7][CH2:8][CH2:9][O:10][c:11]1[cH:12][c:13]2[c:14]([cH:22][cH:23]1)[C:15]([CH3:20])([CH3:21])[O:16][C:17](=[O:19])[NH:18]2)[S:34][c:31]1[cH:30][cH:29][c:28]([NH:27][C:24]([CH3:25])=[O:26])[cH:33][cH:32]1Participants
3
Sources & evidence
- ORD record
- ord-40432cbcad5c406b9a39a0a5b1e5c594
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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