Thiophosgene → 2-Chloro-4-fluoro-1-isothiocyanatobenzene

Reaction equation

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

Participants

Reactant 3

HCID 10040Thiophosgene

HCID 75013Benzenamine, 2-chloro-4-fluoro-

HCID 81531Diisopropylethylamine

Product 1

HCID 27575812-Chloro-4-fluoro-1-isothiocyanatobenzene

Sources & evidence

ORD record: ord-3a5a90fca3134c62aecf469014243e1c
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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