Benzene → 2-Methyl-2-phenylpent-4-enal
Reaction equation
[Na+:30].[O-:26][C:27]([OH:28])=[O:29].[OH2:37].[OH:11][CH2:12][CH:13]=[CH2:14].[c:15]1([CH3:16])[cH:17][cH:18][c:19]([S:20]([OH:21])(=[O:22])=[O:23])[cH:24][cH:25]1.[c:1]1([CH:7]([CH:8]=[O:9])[CH3:10])[cH:2][cH:3][cH:4][cH:5][cH:6]1.[cH:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[c:1]1([C:7]([CH:8]=[O:9])([CH3:10])[CH2:14][CH:13]=[CH2:12])[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
8
Sources & evidence
- ORD record
- ord-fb6fa366726d4bd194b08ef17698f425
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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