Hydrochloric Acid → 3-Methyl-4-(3-acetyl-5-oxo-2-pyrazolin-1-yl)benzoic acid

HRID 108858

Reaction equation

HRID 108858 reaction equation
[CH3:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]1[NH:11][N:12]=[C:13]([CH2:14][C:15](=[O:16])[O:17][CH2:18][CH3:19])[C:20]([CH3:21])=[O:22].[CH3:23][CH2:24][OH:25].[ClH:32].[Na+:26].[Na+:27].[O-:28][C:29](=[O:30])[O-:31].[OH2:33]>>[CH3:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]1[N:11]1[N:12]=[C:13]([C:20]([CH3:21])=[O:22])[CH2:14][C:15]1=[O:16]

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 19660Carbonate IonHCID 86751496Ethyl 3-(4-carboxy-2-methylphenylhydrazono)-4-oxopentanoate

Product 1

HCID 154850873-Methyl-4-(3-acetyl-5-oxo-2-pyrazolin-1-yl)benzoic acid

Sources & evidence

ORD record
ord-6dfe7ec89d3245659d0b791fc44fceac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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