A DFT Investigation of the Reactivity of Guanidinium Salts in Tandem aza-Michael Addition/Intramolec...
A DFT Investigation of the Reactivity of Guanidinium Salts in Tandem aza-Michael Addition/Intramolecular Cyclization
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Switzerland: MDPI AG
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English
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Switzerland: MDPI AG
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A proposed mechanism of the reaction of guanidinium chlorides with dimethyl acetylenedicarboxylate in a tandem aza-Michael addition reaction/intramolecular cyclization was investigated by DFT M06-2X and B3LYP computational approaches. The energies of the products were compared against the G3, M08-HX, M11, and wB97xD data or experimentally obtained...
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A DFT Investigation of the Reactivity of Guanidinium Salts in Tandem aza-Michael Addition/Intramolecular Cyclization
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TN_cdi_doaj_primary_oai_doaj_org_article_0f3e5b2a10234484a625614d112390a3
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https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_doaj_primary_oai_doaj_org_article_0f3e5b2a10234484a625614d112390a3
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ISSN
1420-3049
E-ISSN
1420-3049
DOI
10.3390/molecules28052218
