Mechanism research of Fries rearrangement based on Fukui function
The Fries rearrangement plays an important role in the syntheses of various drugs.The current widely recognized mechanisms of Fries rearrangement are intermolecular mechanism and intramolecular mechanism.In this article,the mechanism of Fries rearrangement on the phenyl ring of quinoline compound N3 was explored by calculating and predicting reaction sites using Fukui functions,then the result was verified through synthetic experiments.The results indicate that the intramolecular rearrangement mechanism is more reasonable for quinoline compound N3,which provides a new research idea for exploring the mechanism of Fries rearrangement reaction.
Fries rearrangementFukui functionprediction of reactive site
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