Methyl Gentisate → Methyl 5-(3,5,5-trimethylhexyloxy)-2-hydroxybenzoate

HRID 163615Notes

Reaction equation

HRID 163615 reaction equation
[OH:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][c:9]([OH:12])[cH:10][cH:11]1.[c:13]1([CH3:14])[cH:15][cH:16][c:17]([S:18]([O:19][CH2:23][CH2:24][CH:25]([CH2:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH3:31])(=[O:20])=[O:21])[cH:22][cH:32]1>>[OH:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][c:9]([O:12][CH2:23][CH2:24][CH:25]([CH2:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH3:31])[cH:10][cH:11]1

Participants

3

Reactant 2

HCID 75077Methyl GentisateHCID 190366833,5,5-Trimethylhexyl p-toluenesulfonate

Product 1

HCID 19036700Methyl 5-(3,5,5-trimethylhexyloxy)-2-hydroxybenzoate

Sources & evidence

ORD record
ord-f934b64a8a7e4ea09f751362e99b5486
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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