3,4-Dichlorobenzenethiol → 7-[4-(3,4-Dichloro-phenylmercapto)-butoxy]-4,4-dimethyl-4H-3,1-benzoxazin-2-one
Reaction equation
[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].[Cl:24][c:25]1[cH:26][c:27]([SH:32])[cH:28][cH:29][c:30]1[Cl:31]>>[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:32][c:27]1[cH:26][c:25]([Cl:24])[c:30]([Cl:31])[cH:29][cH:28]1Participants
3
Sources & evidence
- ORD record
- ord-3b21fbe9b4f14c7f81f39973c2fd3737
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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