https://www.selleckchem.com/pr....oducts/filgotinib.ht
The selectivity and rate enhancement of bifunctional hydrogen bond donor-catalyzed Diels-Alder reactions between cyclopentadiene and acrolein were quantum chemically studied using density functional theory in combination with coupled-cluster theory. (Thio)ureas render the studied Diels-Alder cycloaddition reactions exo selective and induce a significant acceleration of this process by lowering the reaction barrier by up to 7 kcal mol-1 . Our activation strain and Kohn-Sham molecular orbital analyses uncover that these organocatalysts
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