Benzene → 3-Phenylprop-2-Enal
Reaction equation
[Al+3:15].[CH3:11][CH:12]([CH3:13])[O-:14].[CH3:16][CH:17]([CH3:18])[O-:19].[CH3:20][CH:21]([CH3:22])[O-:23].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[ClH:35].[N+:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][c:30]1[CH:31]=[O:32])([O-:33])=[O:34].[OH:1][CH2:2][CH:3]=[CH:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[cH:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[O:1]=[CH:2][CH:3]=[CH:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1Participants
8
Sources & evidence
- ORD record
- ord-153ce2e28adb4c5c92f57ef09ddfdbab
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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