2-(4-Fluorophenyl)-2-oxoacetic Acid → HCID 178434302, compound

HRID 213462

Reaction equation

HRID 213462 reaction equation
[CH3:1][c:2]1[n:3][nH:4][c:5]2[cH:6][cH:7][c:8]([NH2:11])[cH:9][c:10]12.[F:12][C:13]([c:14]1[cH:15][cH:16][c:17]([CH2:20][C:21]#[N:22])[cH:18][n:19]1)([F:23])[F:24].[F:25][c:26]1[cH:27][cH:28][c:29]([C:32]([C:33](=[O:34])[OH:35])=[O:36])[cH:30][cH:31]1>>[CH3:1][c:2]1[n:3][nH:4][c:5]2[cH:6][cH:7][c:8]([N:11]([CH2:21][CH2:20][c:17]3[cH:16][cH:15][c:14]([C:13]([F:12])([F:23])[F:24])[n:19][cH:18]3)[C:33]([C:32]([c:29]3[cH:28][cH:27][c:26]([F:25])[cH:31][cH:30]3)=[O:36])=[O:34])[cH:9][c:10]12

Participants

4

Reactant 3

HCID 5794402-(4-Fluorophenyl)-2-oxoacetic AcidHCID 508511273-Pyridineacetonitrile, 6-(trifluoromethyl)-HCID 178434299HCID 178434299, compound

Product 1

HCID 178434302HCID 178434302, compound

Sources & evidence

ORD record
ord-873b08d74dd549e79e70c5cd2b5ae7d7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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