Hydrochloric Acid → (3-Chloro-5-(trifluoromethyl)phenyl)methanol

Reaction equation

[CH3:22][C:23]#[N:24].[Cl:25][Cu:26][Cl:27].[ClH:21].[N:14]([O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20].[NH2:1][c:2]1[cH:3][c:4]([CH2:12][OH:13])[cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1>>[c:2]1([Cl:21])[cH:3][c:4]([CH2:12][OH:13])[cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1

Participants

Reactant 5

HCID 313Hydrochloric Acid

HCID 6342Acetonitrile

HCID 10906Tert-Butyl nitrite

HCID 24014Cupric Chloride

HCID 53414333(3-Amino-5-(trifluoromethyl)phenyl)methanol

Product 1

HCID 3857254(3-Chloro-5-(trifluoromethyl)phenyl)methanol

Sources & evidence

ORD record: ord-1799d6ea01044e199c95ca4321269e23
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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