Hydrochloric Acid → [3-(4-chlorophenyl)-4-(4-methoxyphenylmethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetic acid

Reaction equation

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

Participants

Reactant 5

HCID 313Hydrochloric Acid

HCID 813Potassium Cation

HCID 887Methanol

HCID 961Hydroxide

HCID 1784547812-[3-(4-chlorophenyl)-4-[(4-methoxyphenyl)methyl]-5-oxo-1,2,4-triazol-1-yl]butanoate

Product 1

HCID 58011946[3-(4-chlorophenyl)-4-(4-methoxyphenylmethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetic acid

Sources & evidence

ORD record: ord-22537c1f5ae14ada877fa96e85b0f585
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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