Ethanol → Benzoic acid, 4-(4-hydroxybutyl)-, 1,1-dimethylethyl ester

HRID 116099Notes

Reaction equation

HRID 116099 reaction equation
[CH3:19][CH2:20][OH:21].[CH3:22][CH2:23][O:24][C:25](=[O:26])[CH3:27].[OH:1][CH2:2][CH2:3][C:4]#[C:5][c:6]1[cH:7][cH:8][c:9]([C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[cH:17][cH:18]1.[Pt:28](=[O:29])=[O:30]>>[OH:1][CH2:2][CH2:3][CH2:4][CH2:5][c:6]1[cH:7][cH:8][c:9]([C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[cH:17][cH:18]1

Participants

5

Reactant 4

HCID 702EthanolHCID 8857Ethyl AcetateHCID 345198Adams' catalystHCID 58024754tert-Butyl 4-(4-hydroxybut-1-yn-1-yl)benzoate

Product 1

HCID 10422229Benzoic acid, 4-(4-hydroxybutyl)-, 1,1-dimethylethyl ester

Sources & evidence

ORD record
ord-400cd4f6f70445de9267a8f7458b5a7a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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