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The competition between tributyltin hydride-induced cyclization and reduction of a series of 6-bromo-2-hexenoates was explored computationally. Different methods show that modification of the gem -substituents is not as crucial for cyclization as once thought.
The mechanism of the reaction of butadiene with allyl cation was explored using ab initio RHF and MP2 calculations and the 6-31G basis set. Only stepwise mechanisms are found.
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