%0 Journal Article
%T Synthesis and evaluation of new guanidine-thiourea organocatalyst for the nitro-Michael reaction: Theoretical studies on mechanism and enantioselectivity
%A Tatyana E. Shubina
%A Matthias Freund
%A Sebastian Schenker
%A Timothy Clark
%J Beilstein Journal of Organic Chemistry
%D 2012
%I 
%R 10.3762/bjoc.8.168
%X A new guanidine-thiourea organocatalyst has been developed and applied as bifunctional organocatalyst in the Michael addition reaction of diethyl malonate to trans-¦Â-nitrostyrene. Extensive DFT calculations, including solvent effects and dispersion corrections, as well as ab initio calculations provide a plausible description of the reaction mechanism.
%K bifunctional organocatalyst
%K DFT calculations
%K guanidine-thiourea
%K Michael addition
%K organocatalysis
%K transition states
%U http://dx.doi.org/10.3762/bjoc.8.168