Chloride → 3-Hydroxy-4-(1-oxo-2-methylbutyl)phenyl 4-(4'-octyloxyphenyl)benzoate
Reaction equation
[CH2:16]([CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[O:24][c:25]1[cH:26][cH:27][c:28](-[c:31]2[cH:32][cH:33][c:34]([C:35](=[O:36])[OH:37])[cH:38][cH:39]2)[cH:29][cH:30]1.[CH2:51]([Cl:52])[Cl:53].[CH2:54]([O:55][CH2:56][CH3:57])[CH3:58].[CH:41]([Cl:42])([Cl:43])[Cl:44].[Cl-:15].[ClH:40].[OH:1][c:2]1[cH:3][c:4]([OH:14])[cH:5][cH:6][c:7]1[C:8]([CH:9]([CH2:10][CH3:11])[CH3:12])=[O:13].[cH:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1>>[OH:1][c:2]1[cH:3][c:4]([O:14][C:35]([c:34]2[cH:33][cH:32][c:31](-[c:28]3[cH:27][cH:26][c:25]([O:24][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[cH:30][cH:29]3)[cH:39][cH:38]2)=[O:36])[cH:5][cH:6][c:7]1[C:8]([CH:9]([CH2:10][CH3:11])[CH3:12])=[O:13]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-dd9e6126e4c344bd89402b57ef2f114f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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