Isopropanol → 4-Acetoxy-2-isopropoxy-benzoic acid methyl ester
Reaction equation
[CH3:5][O:6][C:7]([c:8]1[c:9]([OH:18])[cH:10][c:11]([O:14][C:15]([CH3:16])=[O:17])[cH:12][cH:13]1)=[O:19].[CH:1]([CH3:2])([CH3:3])[OH:4].[Cl:51][CH2:52][Cl:53].[O:39]=[C:40]([O:41][CH2:42][CH3:43])[N:44]=[N:45][C:46]([O:47][CH2:48][CH3:49])=[O:50].[c:20]1([P:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[CH:1]([CH3:2])([CH3:3])[O:18][c:9]1[c:8]([C:7]([O:6][CH3:5])=[O:19])[cH:13][cH:12][c:11]([O:14][C:15]([CH3:16])=[O:17])[cH:10]1Participants
6
Sources & evidence
- ORD record
- ord-06ba1b320c6a4e7096237797ade5e09c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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