Sodium ion → 3-(1,1-Dimethylheptyl)-4-methoxybenzoic acid

HRID 87183

Reaction equation

HRID 87183 reaction equation
[C:38]([OH:39])([CH3:40])([CH3:41])[CH3:42].[CH3:1][C:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])([CH3:9])[c:10]1[cH:11][c:12]([CH:13]=[O:14])[cH:15][cH:16][c:17]1[O:18][CH3:19].[CH3:20][C:21](=[CH:22][CH3:23])[CH3:24].[Cl+:25]([O-:26])[O-:27].[Na+:28].[Na+:29].[Na+:36].[OH-:35].[OH2:37].[OH:30][P:31](=[O:32])([O-:33])[OH:34]>>[CH3:1][C:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])([CH3:9])[c:10]1[cH:11][c:12]([C:13](=[O:14])[OH:26])[cH:15][cH:16][c:17]1[O:18][CH3:19]

Participants

9

Reactant 8

HCID 923Sodium ion3×HCID 961HydroxideHCID 962WaterHCID 1003DihydrogenphosphateHCID 6386tert-ButanolHCID 105532-Methyl-2-buteneHCID 197148ChloriteHCID 193633883-(1,1-Dimethylheptyl)-4-methoxybenzaldehyde

Product 1

HCID 193633733-(1,1-Dimethylheptyl)-4-methoxybenzoic acid

Sources & evidence

ORD record
ord-f3c9dc661b174b8ba3907df653f1e83e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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