Ethanol → 4-(4H-1,2,4-triazol-4-yl)benzoic acid

Reaction equation

[CH3:19][CH2:20][OH:21].[Na+:2].[OH-:1].[n:3]1[n:4][cH:5][n:6](-[c:8]2[cH:9][cH:10][c:11]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[cH:17][cH:18]2)[cH:7]1>>[n:3]1[n:4][cH:5][n:6](-[c:8]2[cH:9][cH:10][c:11]([C:12](=[O:13])[OH:14])[cH:17][cH:18]2)[cH:7]1

Participants

Reactant 4

HCID 702Ethanol

HCID 923Sodium Ion

HCID 961Hydroxide

HCID 22627983Ethyl 4-(4H-1,2,4-triazol-4-yl)benzoate

Product 1

HCID 31635814-(4H-1,2,4-triazol-4-yl)benzoic acid

Sources & evidence

ORD record: ord-2ed42d507809467780e94f2a617a5972
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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