Ethanol → 2',6'-Dinitro-4'-trifluoromethyl-2,2,2-trifluoroacetanilide

Reaction equation

[CH3:38][CH2:39][OH:40].[F:24][C:25]([F:26])([F:27])[C:28]([Cl:29])=[O:30].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([NH2:6])[c:7]([N+:15](=[O:16])[O-:17])[cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]1.[OH:31][C:32]([C:33]([F:34])([F:35])[F:36])=[O:37].[cH:18]1[cH:19][cH:20][n:21][cH:22][cH:23]1>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([NH:6][C:28]([C:25]([F:24])([F:26])[F:27])=[O:30])[c:7]([N+:15](=[O:16])[O-:17])[cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]1

Participants

Reactant 5

HCID 702Ethanol

HCID 1049Pyridine

HCID 6422Trifluoroacetic acid

HCID 99362,6-Dinitro-4-(trifluoromethyl)aniline

HCID 61106Trifluoroacetyl chloride

Product 1

HCID 215124262',6'-Dinitro-4'-trifluoromethyl-2,2,2-trifluoroacetanilide

Sources & evidence

ORD record: ord-952007c5818d4d55b7631ab5abebf2a7
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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