FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2040898745> ?p ?o ?g. }

• W2040898745 endingPage "947" @default.
• W2040898745 startingPage "942" @default.
• W2040898745 abstract "Recent theoretical studies on N-heterocyclic carbenes catalyzed Staudinger reactions revealed that the stereoselectivities are determined by an elementary reaction step, that is, the reaction of an imine with N-heterocyclic carbene-ketene zwitterionic intermediate (INTN-k). To better understand the stereoselectivities of some of the experimentally reported reaction systems, the corresponding transition states were studied further by using an ONIOM approach. A combination of B3LYP/6-31G(d) and PM3 levels of theory was used for transition state optimization, and M06-2X/6-31+G(d,p) level for single point calculations. The calculations were found to provide predictions that were in qualitative agreement with the sense and magnitude of experimental stereoselectivities. By analyzing the electronic structures of the transition states, the origin of divergent stereoselectivities in different N-heterocyclic carbenes catalyzed system can be attributed to the cooperation of the electrostatic and steric effects involved in the reaction of imines with N-heterocyclic carbene-ketene intermediates. These results may provide useful information for selecting the N-heterocyclic carbene catalysts in the synthesis of β-lactams." @default.
• W2040898745 created "2016-06-24" @default.
• W2040898745 creator A5032617913 @default.
• W2040898745 creator A5050611867 @default.
• W2040898745 creator A5055342281 @default.
• W2040898745 creator A5066682616 @default.
• W2040898745 creator A5084834971 @default.
• W2040898745 date "2011-05-01" @default.
• W2040898745 modified "2023-10-16" @default.
• W2040898745 title "Computational predictions on the stereoselectivity of N-heterocyclic carbene catalyzed β-lactam synthesis" @default.
• W2040898745 cites W1554938153 @default.
• W2040898745 cites W1965378620 @default.
• W2040898745 cites W1966122995 @default.
• W2040898745 cites W1968344479 @default.
• W2040898745 cites W1983148800 @default.
• W2040898745 cites W1988165294 @default.
• W2040898745 cites W1990627333 @default.
• W2040898745 cites W1998422891 @default.
• W2040898745 cites W2000325307 @default.
• W2040898745 cites W2000896423 @default.
• W2040898745 cites W2003243466 @default.
• W2040898745 cites W2005359641 @default.
• W2040898745 cites W2009907387 @default.
• W2040898745 cites W2014218355 @default.
• W2040898745 cites W2014767176 @default.
• W2040898745 cites W2018584158 @default.
• W2040898745 cites W2018754767 @default.
• W2040898745 cites W2020199022 @default.
• W2040898745 cites W2028838902 @default.
• W2040898745 cites W2039559098 @default.
• W2040898745 cites W2042465329 @default.
• W2040898745 cites W2055468061 @default.
• W2040898745 cites W2055547313 @default.
• W2040898745 cites W2058848030 @default.
• W2040898745 cites W2072741235 @default.
• W2040898745 cites W2074482386 @default.
• W2040898745 cites W2076991997 @default.
• W2040898745 cites W2079458939 @default.
• W2040898745 cites W2079547096 @default.
• W2040898745 cites W2079821320 @default.
• W2040898745 cites W2082232204 @default.
• W2040898745 cites W2083993424 @default.
• W2040898745 cites W2090730516 @default.
• W2040898745 cites W2095137764 @default.
• W2040898745 cites W2105946794 @default.
• W2040898745 cites W2115527718 @default.
• W2040898745 cites W2121149540 @default.
• W2040898745 cites W2122660679 @default.
• W2040898745 cites W2135096135 @default.
• W2040898745 cites W2143981217 @default.
• W2040898745 cites W2149531351 @default.
• W2040898745 cites W2150697053 @default.
• W2040898745 cites W2155358697 @default.
• W2040898745 cites W2160241558 @default.
• W2040898745 cites W2164892025 @default.
• W2040898745 cites W2178598629 @default.
• W2040898745 cites W2949834663 @default.
• W2040898745 cites W2950570766 @default.
• W2040898745 cites W2950758344 @default.
• W2040898745 cites W2951055797 @default.
• W2040898745 cites W2951107262 @default.
• W2040898745 cites W2951896462 @default.
• W2040898745 cites W2952312673 @default.
• W2040898745 cites W2952630281 @default.
• W2040898745 cites W3192352321 @default.
• W2040898745 cites W4247288929 @default.
• W2040898745 doi "https://doi.org/10.1016/j.tetasy.2011.05.019" @default.
• W2040898745 hasPublicationYear "2011" @default.
• W2040898745 type Work @default.
• W2040898745 sameAs 2040898745 @default.
• W2040898745 citedByCount "18" @default.
• W2040898745 countsByYear W20408987452012 @default.
• W2040898745 countsByYear W20408987452013 @default.
• W2040898745 countsByYear W20408987452014 @default.
• W2040898745 countsByYear W20408987452015 @default.
• W2040898745 countsByYear W20408987452017 @default.
• W2040898745 countsByYear W20408987452022 @default.
• W2040898745 crossrefType "journal-article" @default.
• W2040898745 hasAuthorship W2040898745A5032617913 @default.
• W2040898745 hasAuthorship W2040898745A5050611867 @default.
• W2040898745 hasAuthorship W2040898745A5055342281 @default.
• W2040898745 hasAuthorship W2040898745A5066682616 @default.
• W2040898745 hasAuthorship W2040898745A5084834971 @default.
• W2040898745 hasConcept C147597530 @default.
• W2040898745 hasConcept C155647269 @default.
• W2040898745 hasConcept C161790260 @default.
• W2040898745 hasConcept C178790620 @default.
• W2040898745 hasConcept C181647583 @default.
• W2040898745 hasConcept C185592680 @default.
• W2040898745 hasConcept C201194858 @default.
• W2040898745 hasConcept C21951064 @default.
• W2040898745 hasConcept C2776165824 @default.
• W2040898745 hasConcept C2776730309 @default.
• W2040898745 hasConcept C2777164566 @default.
• W2040898745 hasConcept C2778874822 @default.
• W2040898745 hasConcept C71240020 @default.
• W2040898745 hasConcept C86914705 @default.
• W2040898745 hasConcept C89031862 @default.

• next