2,5-Dichlorophenol → 4-(2,5-Dichlorophenoxy)-3-nitrobenzonitrile

Reaction equation

[CH2:31]1[O:32][CH2:33][CH2:34][CH2:35]1.[Cl:10][c:11]1[c:12]([N+:19](=[O:20])[O-:21])[cH:13][c:14]([C:15]#[N:16])[cH:17][cH:18]1.[Cl:28][CH2:29][Cl:30].[K+:22].[K+:23].[O-:24][C:25]([O-:26])=[O:27].[OH:1][c:2]1[cH:3][c:4]([Cl:5])[cH:6][cH:7][c:8]1[Cl:9]>>[O:1]([c:2]1[cH:3][c:4]([Cl:5])[cH:6][cH:7][c:8]1[Cl:9])[c:11]1[c:12]([N+:19](=[O:20])[O-:21])[cH:13][c:14]([C:15]#[N:16])[cH:17][cH:18]1

Participants

Reactant 6

HCID 662,5-Dichlorophenol

HCID 813Potassium Cation2×

HCID 6344Dichloromethane

HCID 8028Tetrahydrofuran

HCID 13655Benzonitrile, 4-chloro-3-nitro-

HCID 19660Carbonate Ion

Product 1

HCID 595489424-(2,5-Dichlorophenoxy)-3-nitrobenzonitrile

Sources & evidence

ORD record: ord-fb9398680b5e4deb9f23a8ad49ce0cac
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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