FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2078366286> ?p ?o ?g. }

• W2078366286 endingPage "3554" @default.
• W2078366286 startingPage "3547" @default.
• W2078366286 abstract "Abstract DFT calculations at the B3LYP/6‐311+G(d,p) level for the C, H, and O atoms and at the 6‐311+G(2df,p) level for the S atom were used to study the hetero‐Diels–Alder reactions between several α‐oxothiones and ethylene or methyl vinyl ether (MVE). All the transition states and the intermediates along the reaction pathways, as well as the reaction products, were located. The reactions with ethylene are all concerted though asynchronous whereas in the reactions with MVE the electron‐releasing character of the methoxy substituent lowers the energy barriers and enhances the asynchronicity and the charge transfer process to such an extent that the reaction may become unconcerted and exhibit a two‐step mechanism with a zwitterionic intermediate derived from nucleophilic attack of electron‐rich MVE to the sulfur atom of the strongly electrophilically activated α‐oxothiones. The reactions are also favored by the conjugation of the newly formed C=C bond. Moreover, the geometric features of the diene exert a nonnegligible role, as dienes that are planar or almost planar in their ground state show a lower energy barrier. Thus, both geometric and electronic features of the dienes as well as of the dienophiles play a significant role in the easiness of the reactions and in their mechanism. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)" @default.
• W2078366286 created "2016-06-24" @default.
• W2078366286 creator A5000827403 @default.
• W2078366286 creator A5031683196 @default.
• W2078366286 creator A5038246078 @default.
• W2078366286 creator A5042612943 @default.
• W2078366286 creator A5045166586 @default.
• W2078366286 creator A5062176432 @default.
• W2078366286 date "2007-07-01" @default.
• W2078366286 modified "2023-10-09" @default.
• W2078366286 title "Alternative Mechanistic Paths in the Hetero‐Diels–Alder Reaction of α‐Oxothiones: A Theoretical Study" @default.
• W2078366286 cites W1968422171 @default.
• W2078366286 cites W1971990887 @default.
• W2078366286 cites W1977205101 @default.
• W2078366286 cites W1982815604 @default.
• W2078366286 cites W1987702006 @default.
• W2078366286 cites W1987714144 @default.
• W2078366286 cites W1996066843 @default.
• W2078366286 cites W1996400924 @default.
• W2078366286 cites W2011241123 @default.
• W2078366286 cites W2017246402 @default.
• W2078366286 cites W2023271753 @default.
• W2078366286 cites W2029867653 @default.
• W2078366286 cites W2038083805 @default.
• W2078366286 cites W2042894184 @default.
• W2078366286 cites W2047042008 @default.
• W2078366286 cites W2083469020 @default.
• W2078366286 cites W2093323623 @default.
• W2078366286 cites W2125188714 @default.
• W2078366286 cites W2143981217 @default.
• W2078366286 cites W2161747039 @default.
• W2078366286 cites W2850626358 @default.
• W2078366286 cites W2951664985 @default.
• W2078366286 cites W4231649355 @default.
• W2078366286 doi "https://doi.org/10.1002/ejoc.200700112" @default.
• W2078366286 hasPublicationYear "2007" @default.
• W2078366286 type Work @default.
• W2078366286 sameAs 2078366286 @default.
• W2078366286 citedByCount "17" @default.
• W2078366286 countsByYear W20783662862013 @default.
• W2078366286 countsByYear W20783662862016 @default.
• W2078366286 countsByYear W20783662862017 @default.
• W2078366286 countsByYear W20783662862020 @default.
• W2078366286 countsByYear W20783662862022 @default.
• W2078366286 countsByYear W20783662862023 @default.
• W2078366286 crossrefType "journal-article" @default.
• W2078366286 hasAuthorship W2078366286A5000827403 @default.
• W2078366286 hasAuthorship W2078366286A5031683196 @default.
• W2078366286 hasAuthorship W2078366286A5038246078 @default.
• W2078366286 hasAuthorship W2078366286A5042612943 @default.
• W2078366286 hasAuthorship W2078366286A5045166586 @default.
• W2078366286 hasAuthorship W2078366286A5062176432 @default.
• W2078366286 hasConcept C147597530 @default.
• W2078366286 hasConcept C155647269 @default.
• W2078366286 hasConcept C161790260 @default.
• W2078366286 hasConcept C176933379 @default.
• W2078366286 hasConcept C178790620 @default.
• W2078366286 hasConcept C178907741 @default.
• W2078366286 hasConcept C185592680 @default.
• W2078366286 hasConcept C2778597550 @default.
• W2078366286 hasConcept C2778689049 @default.
• W2078366286 hasConcept C2778733088 @default.
• W2078366286 hasConcept C2779664164 @default.
• W2078366286 hasConcept C2779940776 @default.
• W2078366286 hasConcept C2780407432 @default.
• W2078366286 hasConcept C29135686 @default.
• W2078366286 hasConcept C65024703 @default.
• W2078366286 hasConcept C75473681 @default.
• W2078366286 hasConcept C89031862 @default.
• W2078366286 hasConceptScore W2078366286C147597530 @default.
• W2078366286 hasConceptScore W2078366286C155647269 @default.
• W2078366286 hasConceptScore W2078366286C161790260 @default.
• W2078366286 hasConceptScore W2078366286C176933379 @default.
• W2078366286 hasConceptScore W2078366286C178790620 @default.
• W2078366286 hasConceptScore W2078366286C178907741 @default.
• W2078366286 hasConceptScore W2078366286C185592680 @default.
• W2078366286 hasConceptScore W2078366286C2778597550 @default.
• W2078366286 hasConceptScore W2078366286C2778689049 @default.
• W2078366286 hasConceptScore W2078366286C2778733088 @default.
• W2078366286 hasConceptScore W2078366286C2779664164 @default.
• W2078366286 hasConceptScore W2078366286C2779940776 @default.
• W2078366286 hasConceptScore W2078366286C2780407432 @default.
• W2078366286 hasConceptScore W2078366286C29135686 @default.
• W2078366286 hasConceptScore W2078366286C65024703 @default.
• W2078366286 hasConceptScore W2078366286C75473681 @default.
• W2078366286 hasConceptScore W2078366286C89031862 @default.
• W2078366286 hasIssue "21" @default.
• W2078366286 hasLocation W20783662861 @default.
• W2078366286 hasOpenAccess W2078366286 @default.
• W2078366286 hasPrimaryLocation W20783662861 @default.
• W2078366286 hasRelatedWork W1978064400 @default.
• W2078366286 hasRelatedWork W2026109285 @default.
• W2078366286 hasRelatedWork W2042486329 @default.
• W2078366286 hasRelatedWork W2173001776 @default.
• W2078366286 hasRelatedWork W2315078173 @default.
• W2078366286 hasRelatedWork W2320134930 @default.
• W2078366286 hasRelatedWork W2369080304 @default.
• W2078366286 hasRelatedWork W2372863623 @default.

• next