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Theoretical Bond Dissociation Energies of Halo-Heterocycles: Trends and Relationships to Regioselectivity in Palladium-Catalyzed Cross-Coupling Reactions

Selectivity of the palladium-catalyzed cross-coupling reactions of heterocycles bearing multiple identical halogens is mainly determined by the relative ease of oxidative addition. This is related to both the energy to distort the carbon halogen bond to the transition-state geometry (related to the...

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Autors principals: Garcia, Yeimy, Schoenebeck, Franziska, Legault, Claude Y., Merlic, Craig A., Houk, K. N.
Format: Artigo
Idioma:Inglês
Publicat: 2009
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC2730358/
https://ncbi.nlm.nih.gov/pubmed/19368385
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja9004927
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