5-(4-Acetamidophenyl)sulfanylpentane-1-sulfonic acid → 6-[4-(4-acetamido-phenylmercapto)-butoxy]-4,4,7-trimethyl-4H-3,1-benzoxazin-2-one
Reaction equation
[C:16]([CH3:17])(=[O:18])[NH:19][c:20]1[cH:21][cH:22][c:23]([S:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][S:32]([OH:33])(=[O:34])=[O:35])[cH:24][cH:25]1.[OH:1][c:2]1[c:3]([CH3:15])[cH:4][c:5]2[c:6]([cH:14]1)[C:7]([CH3:12])([CH3:13])[O:8][C:9](=[O:11])[NH:10]2>>[O:1]([c:2]1[c:3]([CH3:15])[cH:4][c:5]2[c:6]([cH:14]1)[C:7]([CH3:12])([CH3:13])[O:8][C:9](=[O:11])[NH:10]2)[CH2:30][CH2:29][CH2:28][CH2:27][S:26][c:23]1[cH:22][cH:21][c:20]([NH:19][C:16]([CH3:17])=[O:18])[cH:25][cH:24]1Participants
3
Sources & evidence
- ORD record
- ord-1c90b4b75f3d414d9777eef4a6f6e4c0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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