Benzoic Acid → 2,4-Pentanediol monobenzoate
Reaction equation
[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:29][CH:30]([CH2:31][CH:32]([CH3:33])[OH:34])[OH:35].[CH:43]([O:44][C:45]([N:46]=[N:47][C:48]([O:49][CH:50]([CH3:51])[CH3:52])=[O:53])=[O:54])([CH3:55])[CH3:56].[OH2:62].[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1.[c:10]1([P:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:24][cH:25][cH:26][cH:27][cH:28]1.[c:36]1([CH3:37])[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[O:1]([C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[CH:30]([CH3:29])[CH2:31][CH:32]([CH3:33])[OH:34]Participants
8
Sources & evidence
- ORD record
- ord-2c823f215c044bd489d1c6cedcf530e1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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