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Decoding the reaction mechanism of the cyclocondensation of ethyl acetate2-oxo-2-(4-oxo-4H-pyrido [1.2-a] pyrimidin-3-yl) polyazaheterocycle and ethylenediamine using bond evolution theory.
J Comput Chem. 2022 May 30;43(14):972-985. doi: 10.1002/jcc.26853. Epub 2022 Apr 5.
J Comput Chem. 2022.
PMID: 35383996
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