Bicarbonate Ion → [2-(2,2,2-trifluoro-ethyl)-5-(4-trifluoromethoxy-phenyl)-2H-pyrazol-3-yl]-acetic acid

Reaction equation

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

Participants

Reactant 4

HCID 769Bicarbonate Ion

HCID 923Sodium Ion2×

HCID 961Hydroxide

HCID 86600633[2-(2,2,2-trifluoro-ethyl)-5-(4-trifluoromethoxy-phenyl)-2H-pyrazol-3-yl]-acetonitrile

Product 1

HCID 86600634[2-(2,2,2-trifluoro-ethyl)-5-(4-trifluoromethoxy-phenyl)-2H-pyrazol-3-yl]-acetic acid

Sources & evidence

ORD record: ord-923ae5e114484bc39efb468ec3d92385
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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