A copy of this work was available on the public web and has been preserved in the Wayback Machine. The capture dates from 2019; you can also visit the original URL.
The file type is
Proceedings of The 17th International Electronic Conference on Synthetic Organic Chemistry
Conceptual density functional theory (chemical hardness η, electronic chemical potential µ, global and local electrophilicity index ω and ω k , Fukui function f + k ) is used to predict reactivity, stereo-and regioselectivity of the Diels-Alder (DA) reaction between 2-nitropyrrole and its 1tosylated derivative with Danishefsky's diene to yield 5-hydroxyindoles. A detailed mechanistic study of various possible reaction channels is done by DFT [B3LYP/6-31G(d)] calculations. Solvent effectsdoi:10.3390/ecsoc-17-e002 fatcat:xo2sbzqolvc5rjauuhpzt6txei