Isopropanol → Methyl 3-chloro-4-isopropoxybenzoate
Reaction equation
[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:13][CH:14]([CH3:15])[OH:16].[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][cH:10][c:11]1[OH:12].[O:36]=[C:37]([O:38][CH:39]([CH3:40])[CH3:41])[N:42]=[N:43][C:44]([O:45][CH:46]([CH3:47])[CH3:48])=[O:49].[c:17]1([P:18]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][cH:10][c:11]1[O:12][CH:14]([CH3:13])[CH3:15]Participants
6
Sources & evidence
- ORD record
- ord-a44b6855e0c742d7b1c05aab7f7836d7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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