अमूर्त
DFT study on themechanismof hetero diels alder reaction of â,ã-unsaturated á-ketoesters and 2,3-dihydrofurane
MinaHaghdadi,Adelle Farhangh, FatemehAbdolahzade,HassanGhasemnejad Bosra
The reaction mechanism of hetero Diels-Alder reaction of 2, 3 -dihydro furan and , ä-unsaturated -ketoesters have been studied using B3LYP method at cc-pVDZ level of theory. The four possible reaction transition states were located with the ortho and meta regio- and endo and exo stereoselectivity. Geometry and NBO analysis indicated that the hetero Diels -Alder reactions take place along a concerted mechanism with a polar character
अस्वीकृति: इस सारांश का अनुवाद कृत्रिम बुद्धिमत्ता उपकरणों का उपयोग करके किया गया है और इसे अभी तक समीक्षा या सत्यापित नहीं किया गया है।
