Hydrochloric Acid → 2-[3-(4-Chlorophenyl)-5-oxo-4-(3,3,3-trifluoroprop-1-enyl)-1,2,4-triazol-1-yl]acetic acid

Reaction equation

[CH3:28][OH:29].[CH3:31][S:32]([CH3:33])=[O:34].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]([CH2:20][C:21](=[O:22])[O:23][CH3:24])[c:11](=[O:19])[n:12]2[CH:13]=[CH:14][C:15]([F:16])([F:17])[F:18])[cH:6][cH:7]1.[ClH:27].[Li+:25].[OH-:26].[OH2:30]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]([CH2:20][C:21](=[O:22])[OH:23])[c:11](=[O:19])[n:12]2[CH:13]=[CH:14][C:15]([F:16])([F:17])[F:18])[cH:6][cH:7]1

Participants

Reactant 7

HCID 313Hydrochloric Acid

HCID 679Dimethyl Sulfoxide

HCID 887Methanol

HCID 961Hydroxide

HCID 962Water

HCID 28486Lithium ion

HCID 72319495Methyl 2-[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoroprop-1-enyl)-1,2,4-triazol-1-yl]acetate

Product 1

Sources & evidence

ORD record: ord-0d09b017475f4e37b391594d1cb041a5
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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