Hydrochloric Acid → 2-chloro-5-(4-chloro-5-difluoromethoxy-1-methyl-1H-pyrazol-3-yl)-4-fluorobenzoic acid

HRID 1570313Notes

Reaction equation

HRID 1570313 reaction equation
[CH3:38][C:39]#[N:40].[Cl+:32]([O-:33])[O-:34].[Cl:9][c:10]1[c:11]([CH:12]=[O:13])[cH:14][c:15](-[c:19]2[n:20][n:21]([CH3:29])[c:22]([O:25][CH:26]([F:27])[F:28])[c:23]2[Cl:24])[c:16]([F:18])[cH:17]1.[ClH:36].[Na+:35].[Na+:8].[OH2:1].[OH2:2].[OH2:37].[OH:30][OH:31].[P:3]([O-:4])([OH:5])([OH:6])=[O:7]>>[Cl:9][c:10]1[c:11]([C:12](=[O:13])[OH:33])[cH:14][c:15](-[c:19]2[n:20][n:21]([CH3:29])[c:22]([O:25][CH:26]([F:27])[F:28])[c:23]2[Cl:24])[c:16]([F:18])[cH:17]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 784Hydrogen PeroxideHCID 923Sodium ion2×HCID 962Water3×HCID 1003DihydrogenphosphateHCID 6342AcetonitrileHCID 197148ChloriteHCID 118099222-Chloro-5-(4-chloro-5-difluoromethoxy-1-methyl-1H-pyrazol-3-yl)-4-fluorobenzaldehyde

Product 1

HCID 156719592-chloro-5-(4-chloro-5-difluoromethoxy-1-methyl-1H-pyrazol-3-yl)-4-fluorobenzoic acid

Sources & evidence

ORD record
ord-f871bddb89734a5ba54389e5d57ec266
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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