Hydrochloric Acid → 1-tert-butyl-5-methyl-1H-pyrazole-4-carboxylic acid

Reaction equation

[C:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[n:6][cH:7][c:8]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[c:9]1[CH3:10].[CH2:27]([OH:28])[CH3:29].[ClH:19].[Li+:18].[O:20]1[CH2:21][CH2:22][O:23][CH2:24][CH2:25]1.[OH-:17].[OH2:16].[OH2:26].[OH2:30]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[n:6][cH:7][c:8]([C:11](=[O:12])[OH:13])[c:9]1[CH3:10]

Participants

Reactant 7

HCID 313Hydrochloric Acid

HCID 702Ethanol

HCID 961Hydroxide

HCID 962Water3×

HCID 28486Lithium Cation

HCID 312751,4-Dioxane

HCID 13654177ethyl 1-tert-butyl-5-methyl-1H-pyrazole-4-carboxylate

Product 1

HCID 222279031-tert-butyl-5-methyl-1H-pyrazole-4-carboxylic acid

Sources & evidence

ORD record: ord-b1f2c351f844460e8631c413fd9e0da5
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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