3,4-Dimethoxybenzene-1-thiol → 8-[4-(3,4-Dimethoxy-phenylmercapto)-butoxy]-4,4-dimethyl-4H-3,1-benzoxazin-2-one
Reaction equation
[CH3:20][O:21][c:22]1[cH:23][c:24]([SH:30])[cH:25][cH:26][c:27]1[O:28][CH3:29].[Cl:1][CH2:2][CH2:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][cH:9][cH:10][c:11]2[c:16]1[NH:15][C:14](=[O:17])[O:13][C:12]2([CH3:18])[CH3:19]>>[CH2:2]([CH2:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][cH:9][cH:10][c:11]2[c:16]1[NH:15][C:14](=[O:17])[O:13][C:12]2([CH3:18])[CH3:19])[S:30][c:24]1[cH:23][c:22]([O:21][CH3:20])[c:27]([O:28][CH3:29])[cH:26][cH:25]1Participants
3
Sources & evidence
- ORD record
- ord-1615f14c38434b4e9469f6fb189426a6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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