Ethanol → 3-(3,5-DI-Tert-butyl-4-hydroxy-benzyl)-pentane-2,4-dione

HRID 312261

Reaction equation

HRID 312261 reaction equation
[C:29]([c:30]1[cH:31][c:32]([CH:33]([C:34](=[O:35])[CH3:36])[C:37](=[O:38])[CH3:39])[cH:40][c:41]([C:42]([CH3:43])([CH3:44])[CH3:45])[c:46]1[OH:47])([CH3:48])([CH3:49])[CH3:50].[CH3:1][N:2]([CH3:3])[CH2:4][c:5]1[cH:6][c:7]([C:16]([CH3:17])([CH3:18])[CH3:19])[c:8]([OH:15])[c:9]([C:11]([CH3:12])([CH3:13])[CH3:14])[cH:10]1.[CH3:22][C:23](=[O:24])[CH2:25][C:26]([CH3:27])=[O:28].[CH3:52][CH2:53][OH:54].[Na+:21].[OH-:20].[OH2:51]>>[CH2:4]([c:5]1[cH:6][c:7]([C:16]([CH3:17])([CH3:18])[CH3:19])[c:8]([OH:15])[c:9]([C:11]([CH3:12])([CH3:13])[CH3:14])[cH:10]1)[CH:25]([C:23]([CH3:22])=[O:24])[C:26]([CH3:27])=[O:28]

Participants

8

Reactant 7

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 31261AcetylacetoneHCID 66609Phenol, 4-[(dimethylamino)methyl]-2,6-bis(1,1-dimethylethyl)-HCID 204555253-(3,5-Di-tert-butyl-4-hydroxyphenyl)pentane-2,4-dione

Product 1

HCID 9144013-(3,5-DI-Tert-butyl-4-hydroxy-benzyl)-pentane-2,4-dione

Sources & evidence

ORD record
ord-19fd25da689d4546905b6fa4b9ee8cf3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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