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Theoretical study of the pyridyl-cholestane formation pathway using DFT: A stepwise mechanistic approach

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The reaction mechanism of the formation of pyridyl-cholestane derivative 4 from a multi-component reaction involving cholestane-6-one, aromatic aldehyde, malononitrile, and ammonium acetate in presence of magnesium oxide nanoparticles (MgO NPs) as catalyst, wa... ...