The first analysis of the steric control of the 6-exo free-radical cyclization of acyclic sugar derivatives - MM3 transition state modelling

X. Sánchez-Ruiz, C. Jaime, J. Marco-Contelles

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Resum

The MM2-transition state modelling methodology was applied to the radical cyclization of acyclic sugar derivatives under the MM3 force field. Computational results help to quantitatively explain experimental data, and suggest that cyclizations are mostly controlled by steric interactions, whereas stereoelectronic effects have a low effect, but do tune the final products ratio.
Idioma originalAnglès
Pàgines (de-a)209-218
RevistaJournal of Molecular Structure
Volum471
Número1-3
DOIs
Estat de la publicacióPublicada - 10 de nov. 1998

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