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- W2318910711 abstract "The Co2(CO)8-mediated intramolecular Pauson–Khand reaction is an efficient approach to the trans-decalin subunit with a defined C1 quaternary chiral center. The newly developed density functional theory method M11-L was employed to study the mechanism, reactivity, and stereoselectivity for this reaction. The rate- and stereoselectivity-determining step is the intramolecular alkene insertion into the carbon–cobalt bond. Insertion of the alkene by the re- and si-face was studied to explain the stereoselectivity. The effects of varying the substituent on the acetylene and the C3 chirality were investigated experimentally and theoretically." @default.
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- W2318910711 date "2014-11-05" @default.
- W2318910711 modified "2023-10-14" @default.
- W2318910711 title "What Controls Stereoselectivity and Reactivity in the Synthesis of a <i>trans</i>-Decalin with a Quaternary Chiral Center via the Intramolecular Pauson–Khand Reaction: A Theoretical Study" @default.
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- W2318910711 doi "https://doi.org/10.1021/om500840q" @default.
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