Chloride → 5-Chloropyrazinoic acid

HRID 179352

Reaction equation

HRID 179352 reaction equation
[C:12](=[O:13])([O-:14])[O-:15].[Cl-:26].[Cl:1][c:2]1[n:3][cH:4][c:5]([C:8](=[O:9])[O:10][CH3:11])[n:6][cH:7]1.[ClH:18].[K+:16].[K+:17].[Na+:25].[O:19]1[CH2:20][CH2:21][CH2:22][CH2:23]1.[OH2:24]>>[Cl:1][c:2]1[n:3][cH:4][c:5]([C:8](=[O:9])[OH:10])[n:6][cH:7]1

Participants

9

Reactant 8

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 406081Methyl 5-chloropyrazine-2-carboxylate

Product 1

HCID 4654725-Chloropyrazinoic acid

Sources & evidence

ORD record
ord-d2d5552508654fe5ba7e6bc7f187b939
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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