Ethanol → 4-Trifluoromethyl-1,2-phenylenediamine

HRID 294115Notes

Reaction equation

[CH3:20][CH2:21][OH:22].[N+:1]([O-:2])(=[O:3])[c:4]1[c:5]([NH2:6])[cH:7][cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]1.[Na+:19].[O-:15][C:16]([OH:17])=[O:18]>>[NH2:1][c:4]1[c:5]([NH2:6])[cH:7][cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]1

Participants

Reactant 4

HCID 702Ethanol

HCID 769Bicarbonate Ion

HCID 923Sodium ion

HCID 67865Benzenamine, 2-nitro-4-(trifluoromethyl)-

Product 1

HCID 5208224-Trifluoromethyl-1,2-phenylenediamine

Sources & evidence

ORD record: ord-0ad39a0044d04bd3998aea45d1700591
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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