Matches in SemOpenAlex for { <https://semopenalex.org/work/W1440094322> ?p ?o ?g. }
- W1440094322 endingPage "42" @default.
- W1440094322 startingPage "37" @default.
- W1440094322 abstract "The reactivity of 3-nitropyridine acting as an electrophilic dienophile in polar Diels–Alder (P-DA) reactions toward three different dienes of increased nucleophilicity has been theoretically studied using DFT methods at the MPWB1K/6-31G(d) level. It has been observed that this aromatic heterocyclic system suffers cycloaddition reactions yielding isoquinoline derivatives. The present DFT study establishes that while the P-DA reactions with isoprene and 1-methoxy-1,3-butadiene take place through a two-stage one-step mechanism, the use of the strong nucleophilic Danishefsky’s diene changes the mechanism to a two-step one with formation of a zwitterionic intermediate. These P-DA reactions are completely regioselective allowing the formation of a unique substituted isoquinoline. Analysis of the DFT reactivity indices at the ground state of the reagents correctly explains the reactivity and regioselectivity for these P-DA reactions." @default.
- W1440094322 created "2016-06-24" @default.
- W1440094322 creator A5025043233 @default.
- W1440094322 creator A5038092497 @default.
- W1440094322 creator A5038768694 @default.
- W1440094322 creator A5056311759 @default.
- W1440094322 date "2015-11-01" @default.
- W1440094322 modified "2023-09-27" @default.
- W1440094322 title "Understanding the participation of 3-nitropyridine in polar Diels–Alder reactions. A DFT study" @default.
- W1440094322 cites W1792914280 @default.
- W1440094322 cites W1963737263 @default.
- W1440094322 cites W1967074741 @default.
- W1440094322 cites W1987702006 @default.
- W1440094322 cites W1993383767 @default.
- W1440094322 cites W2000547662 @default.
- W1440094322 cites W2004049482 @default.
- W1440094322 cites W2005688619 @default.
- W1440094322 cites W2008708918 @default.
- W1440094322 cites W2010214115 @default.
- W1440094322 cites W2011241123 @default.
- W1440094322 cites W2019350573 @default.
- W1440094322 cites W2023271753 @default.
- W1440094322 cites W2029867653 @default.
- W1440094322 cites W2038083805 @default.
- W1440094322 cites W2038767330 @default.
- W1440094322 cites W2039119767 @default.
- W1440094322 cites W2044940020 @default.
- W1440094322 cites W2052663864 @default.
- W1440094322 cites W2057351188 @default.
- W1440094322 cites W2060161221 @default.
- W1440094322 cites W2064317547 @default.
- W1440094322 cites W2064969177 @default.
- W1440094322 cites W2068014699 @default.
- W1440094322 cites W2079458939 @default.
- W1440094322 cites W2081518598 @default.
- W1440094322 cites W2085837863 @default.
- W1440094322 cites W2089759714 @default.
- W1440094322 cites W2095468522 @default.
- W1440094322 cites W2101958915 @default.
- W1440094322 cites W2133524519 @default.
- W1440094322 cites W2141133547 @default.
- W1440094322 cites W2143981217 @default.
- W1440094322 cites W2157883438 @default.
- W1440094322 cites W2230728100 @default.
- W1440094322 cites W2331922117 @default.
- W1440094322 cites W2332838700 @default.
- W1440094322 cites W2952653397 @default.
- W1440094322 doi "https://doi.org/10.1016/j.comptc.2015.08.024" @default.
- W1440094322 hasPublicationYear "2015" @default.
- W1440094322 type Work @default.
- W1440094322 sameAs 1440094322 @default.
- W1440094322 citedByCount "13" @default.
- W1440094322 countsByYear W14400943222016 @default.
- W1440094322 countsByYear W14400943222018 @default.
- W1440094322 countsByYear W14400943222019 @default.
- W1440094322 countsByYear W14400943222020 @default.
- W1440094322 countsByYear W14400943222021 @default.
- W1440094322 countsByYear W14400943222022 @default.
- W1440094322 crossrefType "journal-article" @default.
- W1440094322 hasAuthorship W1440094322A5025043233 @default.
- W1440094322 hasAuthorship W1440094322A5038092497 @default.
- W1440094322 hasAuthorship W1440094322A5038768694 @default.
- W1440094322 hasAuthorship W1440094322A5056311759 @default.
- W1440094322 hasConcept C142724271 @default.
- W1440094322 hasConcept C147597530 @default.
- W1440094322 hasConcept C155647269 @default.
- W1440094322 hasConcept C161790260 @default.
- W1440094322 hasConcept C176933379 @default.
- W1440094322 hasConcept C178790620 @default.
- W1440094322 hasConcept C178907741 @default.
- W1440094322 hasConcept C185592680 @default.
- W1440094322 hasConcept C204787440 @default.
- W1440094322 hasConcept C2776910235 @default.
- W1440094322 hasConcept C2776923262 @default.
- W1440094322 hasConcept C2778733088 @default.
- W1440094322 hasConcept C2779664164 @default.
- W1440094322 hasConcept C50027330 @default.
- W1440094322 hasConcept C59759590 @default.
- W1440094322 hasConcept C71924100 @default.
- W1440094322 hasConcept C75473681 @default.
- W1440094322 hasConceptScore W1440094322C142724271 @default.
- W1440094322 hasConceptScore W1440094322C147597530 @default.
- W1440094322 hasConceptScore W1440094322C155647269 @default.
- W1440094322 hasConceptScore W1440094322C161790260 @default.
- W1440094322 hasConceptScore W1440094322C176933379 @default.
- W1440094322 hasConceptScore W1440094322C178790620 @default.
- W1440094322 hasConceptScore W1440094322C178907741 @default.
- W1440094322 hasConceptScore W1440094322C185592680 @default.
- W1440094322 hasConceptScore W1440094322C204787440 @default.
- W1440094322 hasConceptScore W1440094322C2776910235 @default.
- W1440094322 hasConceptScore W1440094322C2776923262 @default.
- W1440094322 hasConceptScore W1440094322C2778733088 @default.
- W1440094322 hasConceptScore W1440094322C2779664164 @default.
- W1440094322 hasConceptScore W1440094322C50027330 @default.
- W1440094322 hasConceptScore W1440094322C59759590 @default.
- W1440094322 hasConceptScore W1440094322C71924100 @default.
- W1440094322 hasConceptScore W1440094322C75473681 @default.
- W1440094322 hasLocation W14400943221 @default.