PMID-sentid Pub_year Sent_text comp_official_name comp_offsetprotein_name organism prot_offset 27966348-3 2017 The first step is coordination of the pyridine-AlMe3 adduct with the active species Ni(0)(NHC)(C2H2) 1 in an eta2-fashion to form an intermediate Int1. pyridine 38-46 Wnt family member 1 Homo sapiens 146-150 27966348-4 2017 After the isomerization of Int1, the oxidative addition of the C-H bond of pyridine across the nickel-acetylene moiety occurs via a transition state TS2 to form a Ni(II)(NHC) pyridyl vinyl intermediate Int3. pyridine 75-83 Wnt family member 1 Homo sapiens 27-31 22940872-1 2013 Density functional theory (DFT) calculations at B3LYP/6-31 G (d,p) and B3LYP/6-311+G(d,p) levels for the substituted pyridine-catalyzed isomerization of monomethyl maleate revealed that isomerization proceeds via four steps, with the rate-limiting step being proton transfer from the substituted pyridinium ion to the C=C double bond in INT1. pyridine 117-125 Wnt family member 1 Homo sapiens 337-341