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- W2014619095 abstract "The present study establishes the ene reaction as a competing reaction mechanism to the diradical mechanism for the thermal C2−C6 cyclization of enyne−allenes which possess bulky substituents at the alkyne terminus. Both reaction routes are found to possess nearly equal free energies of activation. As shown by our computations, primary H/D isotope effects could be used for a definite decision about the mechanism. Concerning the regioselectivity of the cyclization reactions of enyne−allenes our study resolves a long-standing deviation between theoretical results and experimental findings." @default.
- W2014619095 created "2016-06-24" @default.
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- W2014619095 date "2001-05-18" @default.
- W2014619095 modified "2023-10-12" @default.
- W2014619095 title "The Importance of the Ene Reaction for the C<sup>2</sup>−C<sup>6</sup> Cyclization of Enyne−Allenes" @default.
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- W2014619095 doi "https://doi.org/10.1021/ja010346p" @default.
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