4-Methylbenzenethiol → 6-[4-(4-Methyl-phenylmercapto)-butoxy]-4,4-dimethyl-4H-3,1-benzoxazin-2-one
Reaction equation
[CH3:20][c:21]1[cH:22][cH:23][c:24]([SH:27])[cH:25][cH:26]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: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][cH:9][c:10]2[c:11]([cH:19]1)[C:12]([CH3:17])([CH3:18])[O:13][C:14](=[O:16])[NH:15]2)[S:27][c:24]1[cH:23][cH:22][c:21]([CH3:20])[cH:26][cH:25]1Participants
3
Sources & evidence
- ORD record
- ord-3e8837a1c8c84cef9a3dff1db4d0bc28
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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