Methanol → [3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]-acetic acid

Reaction equation

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

Participants

Reactant 5

HCID 887Methanol

HCID 961Hydroxide

HCID 962Water

HCID 28486Lithium Cation

HCID 58011736Methyl {3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetate

Product 1

HCID 58011686[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]-acetic acid

Sources & evidence

ORD record: ord-39a0442e9d6242bebea5286bd6ac9637
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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