PMID-sentid Pub_year Sent_text comp_official_name comp_offsetprotein_name organism prot_offset 30889359-2 2019 In this manuscript, density functional theory calculations were performed to investigate the mechanism and origin of stereoselectivity of Pd-catalyzed cascade annulation of aryl iodide, alkene, and carbon monoxide to access the core of cephanolides B and C. It was found that the favorable mechanism proceeds via oxidative addition of Ar-I bond, migratory insertion of the C C bond, CO insertion into the Pd-(sp3) bond, Ar-H activation, and C(sp2)-C(sp2) reductive elimination. Alkenes 186-192 ariadne RBR E3 ubiquitin protein ligase 1 Homo sapiens 335-339