Benzene → 2-Chloro-4-nitrobenzonitrile

Reaction equation

[Cl:5][c:6]1[c:7]([C:8](=[O:9])[NH2:10])[cH:11][cH:12][c:13]([N+:15](=[O:16])[O-:17])[cH:14]1.[S:1]([Cl:2])([Cl:3])=[O:4].[cH:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1>>[Cl:5][c:6]1[c:7]([C:8]#[N:10])[cH:11][cH:12][c:13]([N+:15](=[O:16])[O-:17])[cH:14]1

Participants

Reactant 3

HCID 241Benzene

HCID 2075Aklomide

HCID 24386Thionyl Chloride

Product 1

HCID 1414012-Chloro-4-nitrobenzonitrile

Sources & evidence

ORD record: ord-d301ee14be8f4d5192bc6828509ee76f
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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