Benzoic Acid → Isobutyl benzoate
Reaction equation
[CH2:10]([CH:11]([CH3:12])[CH3:13])[O:14][C:15]([O:16][N:17]=[C:18]([C:19]#[N:20])[C:21]([O:22][CH2:23][CH3:24])=[O:25])=[O:26].[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[OH2:40].[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1>>[O:1]([C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[CH2:10][CH:11]([CH3:12])[CH3:13]Participants
6
Sources & evidence
- ORD record
- ord-99e1f2d564ad4917b855dd44afdbc41f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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