Isopropanol → 1-(3,4-Dichloro-5-isothiazolyl)-3-(4-hydroxyphenyl)-1,3-propanedione
Reaction equation
[CH:24]([OH:25])([CH3:26])[CH3:27].[Cl:1][c:2]1[n:3][s:4][c:5]([C:8]([CH2:9][C:10](=[O:11])[c:12]2[cH:13][cH:14][c:15]([O:18][CH2:19][O:20][CH2:21][CH3:22])[cH:16][cH:17]2)=[O:23])[c:6]1[Cl:7].[O:28]1[CH2:29][CH2:30][CH2:31][CH2:32]1>>[Cl:1][c:2]1[n:3][s:4][c:5]([C:8]([CH2:9][C:10](=[O:11])[c:12]2[cH:13][cH:14][c:15]([OH:18])[cH:16][cH:17]2)=[O:23])[c:6]1[Cl:7]Participants
4
Sources & evidence
- ORD record
- ord-cbf4e9aa3b6e41029ea407118591e1c4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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