Acetone → 1-Chloro-5-fluoro-2-methoxy-4-nitrobenzene

Reaction equation

[C:13](=[O:14])([O-:15])[O-:16].[CH3:21][C:22](=[O:23])[CH3:24].[CH3:25][CH2:26][O:27][CH2:28][CH3:29].[Cl:1][c:2]1[c:3]([OH:12])[cH:4][c:5]([N+:9](=[O:10])[O-:11])[c:6]([F:8])[cH:7]1.[I:19][CH3:20].[K+:17].[K+:18]>>[Cl:1][c:2]1[c:3]([O:12][CH3:13])[cH:4][c:5]([N+:9](=[O:10])[O-:11])[c:6]([F:8])[cH:7]1

Participants

Reactant 6

HCID 180Acetone

HCID 813Potassium Cation2×

HCID 3283Diethyl Ether

HCID 6328Methyl iodide

HCID 19660Carbonate Ion

HCID 158655Phenol, 2-chloro-4-fluoro-5-nitro-

Product 1

HCID 27792951-Chloro-5-fluoro-2-methoxy-4-nitrobenzene

Sources & evidence

ORD record: ord-3fef42f180604432be3204a28a5a9922
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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