Benzoic Acid → 2-Octyl benzoate
Reaction equation
[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:1][CH:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])[OH:9].[CH3:38][O:39][CH2:40][CH2:41][O:42][C:43]([N:44]=[N:45][C:46]([O:47][CH2:48][CH2:49][O:50][CH3:51])=[O:52])=[O:53].[OH2:59].[OH:29][C:30](=[O:31])[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]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>>[CH3:1][CH:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])[O:9][C:30](=[O:29])[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1Participants
7
Sources & evidence
- ORD record
- ord-a2381772a9cf41ddaeb40bab6bffcdcd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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