Decarboxylation Facilitated by Carbocation Formation and Rearrangement during Steam Distillation of Vetiver Oil
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https://figshare.com/articles/dataset/Decarboxylation_Facilitated_by_Carbocation_Formation_and_Rearrangement_during_Steam_Distillation_of_Vetiver_Oil/3848175
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资源简介：
Density functional theory (DFT) calculations
are used to probe
the validity of mechanistic proposals for the conversion of isozizanoic
acid to 12-norisoziza-5-ene, a reaction that occurs during steam distillation
of vetiver oil. While this conversion corresponds overall to a simple
decarboxylation, a multistep mechanism involving carbocation intermediates
is supported by the computational results.
创建时间：
2016-10-24
