Bicarbonate Ion → 4-(chloromethyl)-1-phenyl-1H-pyrazole

Reaction equation

[C:18](=[O:19])([O-:20])[OH:21].[Cl:23][CH2:24][Cl:25].[Na+:22].[S:14]([Cl:15])([Cl:16])=[O:17].[c:1]1(-[n:7]2[n:8][cH:9][c:10]([CH2:12][OH:13])[cH:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[n:7]2[n:8][cH:9][c:10]([CH2:12][Cl:16])[cH:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

Reactant 5

HCID 769Bicarbonate Ion

HCID 923Sodium Ion

HCID 6344Dichloromethane

HCID 24386Thionyl Chloride

HCID 822983(1-phenyl-1H-pyrazol-4-yl)methanol

Product 1

HCID 21211624-(chloromethyl)-1-phenyl-1H-pyrazole

Sources & evidence

ORD record: ord-119eeb0ae62e48c3afe2f2b9d497fb79
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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