Synthesis and DFT calculations of 2-thioxo-1,2-dihydropyridine-3-carbonitrile as versatile precursors for novel pharmacophoric hybrid molecules
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DOI: 10.1016/j.molstruc.2018.08.031
Abstract: Abstract Pyridine-2-(1H)-thiones were prepared by the reaction of the appropriate 1,3-diones with cyanothioacetamide. Based on DFT calculations, a molecular level understanding for this reaction mechanism gives for the first time a strong evidence for the… read more here.
Keywords: calculations thioxo; synthesis dft; dihydropyridine carbonitrile; carbonitrile versatile ... See more keywords