Toluene → 2,2-Dimethyl-3-[3-oxo-3-isopropoxy-1-propenyl]-cyclopropane-carboxylic acid
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]1[C:9]([CH3:19])([CH3:20])[CH:10]1[CH:11]=[CH:12][C:13](=[O:14])[O:15][CH:16]([CH3:17])[CH3:18].[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[c:21]1([CH3:22])[cH:23][cH:24][c:25]([S:26]([OH:27])(=[O:28])=[O:29])[cH:30][cH:31]1>>[O:5]=[C:6]([OH:7])[CH:8]1[C:9]([CH3:19])([CH3:20])[CH:10]1[CH:11]=[CH:12][C:13](=[O:14])[O:15][CH:16]([CH3:17])[CH3:18]Participants
4
Sources & evidence
- ORD record
- ord-6b74404ac36848f0880bf134e750369d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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