Water → 1-(tert-Butyl)-5-chloro-1H-pyrazole-4-carboxylic acid

HRID 120273

Reaction equation

HRID 120273 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[n:6][cH:7][c:8]([C:10](=[O:11])[OH:12])[cH:9]1.[CH2:13]([Li:14])[CH2:15][CH2:16][CH3:17].[Cl:18][C:19]([C:20]([Cl:21])([Cl:22])[Cl:23])([Cl:24])[Cl:25].[O:27]1[CH2:28][CH2:29][CH2:30][CH2:31]1.[OH2:26]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[n:6][cH:7][c:8]([C:10](=[O:11])[OH:12])[c:9]1[Cl:18]

Participants

6

Reactant 5

HCID 962WaterHCID 6214HexachloroethaneHCID 8028TetrahydrofuranHCID 246962911-tert-Butyl-1H-pyrazole-4-carboxylic acidHCID 178418339Butyllithium

Product 1

HCID 534235531-(tert-Butyl)-5-chloro-1H-pyrazole-4-carboxylic acid

Sources & evidence

ORD record
ord-c09f912f84984256a59f081849e41ab8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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