Benzene → 4-Trifluoromethylnicotinamide

Reaction equation

[CH3:24][N:25]([CH3:26])[CH:27]=[O:28].[F:1][C:2]([c:3]1[c:4]([C:9](=[O:10])[OH:11])[cH:5][n:6][cH:7][cH:8]1)([F:12])[F:13].[S:14]([Cl:15])([Cl:16])=[O:17].[cH:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1>>[F:1][C:2]([c:3]1[c:4]([C:9](=[O:10])[NH2:25])[cH:5][n:6][cH:7][cH:8]1)([F:12])[F:13]

Participants

Reactant 4

HCID 241Benzene

HCID 6228Dimethylformamide

HCID 24386Thionyl Chloride

HCID 27775493-Pyridinecarboxylic acid, 4-(trifluoromethyl)-

Product 1

HCID 27826434-Trifluoromethylnicotinamide

Sources & evidence

ORD record: ord-46519fcbf9574c8e9244662efd006ca2
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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