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Royal Society of Chemistry, RSC Advances, 40(9), p. 23148-23155, 2019

DOI: 10.1039/c9ra03820e

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Computational assessments of diastereoselective [4+2] cycloaddition and 1,3-borotopic shift of a dearomatized tertiary boronic ester intermediate: reactivities explained through transition-state distortion energies

This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

Interception of dearomatized tertiary boronic ester in a diastereoselective [4+2] cycloaddition or 1,3-borotopic shift in the presence or absence of “naked” Li+, understanding reactivities by activation/strain model, were evaluated by DFT calculations.