Title : A Molecular Electron Density Theory Study of the Chemoselectivity, Regioselectivity, and Diastereofacial Selectivity in the Synthesis of an Anticancer Spiroisoxazoline derived from α-Santonin.

Pub. Date : 2019 Feb 26

PMID : 30813573






1 Functional Relationships(s)
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1 While the C-C bond formation involving the beta-conjugated carbon of alpha-santonin derivative is more favorable than the C-O one, which is responsible for the ortho regioselectivity, the favorable electronic interactions taking place between the oxygen of the nitrile oxide and two axial hydrogen atoms of the alpha-santonin derivative are responsible for the syn diastereofacial selectivity. Oxygen synemin Homo sapiens