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Title

Introducing topology to assess the synchronicity of organic reactions. Dual reactivity of oximes with alkenes as a case study

AuthorsMerino, Pedro CSIC ORCID ; Chiacchio, Maria A.; Legnani, Laura; Delso, J. Ignacio; Tejero, Tomás CSIC ORCID
Issue Date2017
PublisherRoyal Society of Chemistry (UK)
CitationOrganic Chemistry Frontiers 4(8): 1541-1554 (2017)
AbstractThe synchronicity of organic reactions not always can be determined by only the analysis of transition structures. We present a case study that illustrates that topological analyses provide information regarding synchronicity that, often, is not reflected in the geometry of transition structures. We have chosen the competitive reactions of oximes with alkenes, (3 + 2) dipolar cycloaddition and ene-like reaction, which have been computationally studied to determine the parameters favoring each process. The competition between the two reactions is particularly evidenced in alkenyl oximes leading to intramolecular processes. Up to 26 examples of intramolecular reactions have been calculated and the results predicted the favored process.
Publisher version (URL)https://doi.org/10.1039/C7QO00233E
URIhttp://hdl.handle.net/10261/184895
DOI10.1039/C7QO00233E
ISSN2052-4110
E-ISSN2052-4129
Appears in Collections:(ISQCH) Artículos




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