Water → 4-Isothiocyanato-2-(trifluoromethyl)benzonitrile

HRID 207887

Reaction equation

[Cl:1][C:2]([Cl:3])=[S:4].[NH2:5][c:6]1[cH:7][c:8]([C:14]([F:15])([F:16])[F:17])[c:9]([C:10]#[N:11])[cH:12][cH:13]1.[OH2:18]>>[C:2](=[S:4])=[N:5][c:6]1[cH:7][c:8]([C:14]([F:15])([F:16])[F:17])[c:9]([C:10]#[N:11])[cH:12][cH:13]1

Participants

Reactant 3

HCID 962Water

HCID 10040Thiophosgene

HCID 5221704-Amino-2-(trifluoromethyl)benzonitrile

Product 1

HCID 116155404-Isothiocyanato-2-(trifluoromethyl)benzonitrile

Sources & evidence

ORD record: ord-e0a3dd8803c2475f923bebd7f018f4e5
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Linked notes

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