4'-Mercaptoacetanilide → 6-[4-(4-Acetamido-phenylmercapto)-butoxy]-4,4-dicyclohexyl-4H-3,1-benzoxazin-2-one
Reaction equation
[C:30]([CH3:31])(=[O:32])[NH:33][c:34]1[cH:35][cH:36][c:37]([SH:40])[cH:38][cH:39]1.[Cl:1][CH2:2][CH2:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][cH:9][c:10]2[c:11]([cH:29]1)[C:12]([CH:17]1[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]1)([CH:23]1[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]1)[O:13][C:14](=[O:16])[NH:15]2>>[CH2:2]([CH2:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][cH:9][c:10]2[c:11]([cH:29]1)[C:12]([CH:17]1[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]1)([CH:23]1[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]1)[O:13][C:14](=[O:16])[NH:15]2)[S:40][c:37]1[cH:36][cH:35][c:34]([NH:33][C:30]([CH3:31])=[O:32])[cH:39][cH:38]1Participants
3
Sources & evidence
- ORD record
- ord-535b15c16949417aa8bdfc5d1afd90f5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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