Nitromethane → 4-Phenylbutyric Acid
Reaction equation
[I:1][c:2]1[cH:3][cH:4][c:5]([CH3:6])[cH:7][c:8]1[S:9](=[O:10])([OH:11])=[O:12].[N+:24]([CH3:25])([O-:26])=[O:27].[c:13]1([CH2:19][CH2:20][CH2:21][CH2:22][OH:23])[cH:14][cH:15][cH:16][cH:17][cH:18]1>>[OH:10][C:22]([CH2:21][CH2:20][CH2:19][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)=[O:23]Participants
4
Sources & evidence
- ORD record
- ord-53651a6ecf5d4d09aea6a657356dc7fa
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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