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2 results for “sonogashira coupling”
Assessing the environmental benefit of palladium-based single-atom heterogeneous catalysts for Sonogashira coupling
<p>Dataset supporting the article "Assessing the environmental benefit of palladium-based single-atom heterogeneous catalysts for Sonogashira coupling" by D. Faust Akl, D. Poier, S. C. D’Angelo, T. P. Araújo, V. Tulus, O. V. Safonova, S. Mitchell, R. Marti, G. Guillén-Gosálbez, and J. Pérez-Ramírez<em>.</em></p>
An Alkyne Linchpin Strategy for Drug:Pharmacophore Conjugation: Experimental and Computational Realization of a meta-selective Inverse Sonogashira Coupling
<p>This folder contains the output log files of the study of Pd-catalysed alkynylation</p> <p>entitled "A Linchpin Approach to Access Drug-Pharmacophore Conjugate by Inverse Sonogashira at meta-Position: Experimental and Computational Exploration"</p> <p>The folder structure is organised as below:</p> <p>/0_sm/: starting materials for the reactions</p> <p>/1_alkynylation_of_1b/: alkynylation reaction using substrate 1b, including regioconvergence studies</p> <p>/2_alkynylation_of_1b_aa_ligand/: alkynylation (C-H activation and 1,2-migratory insertion) reaction using MPAA ligand instead of acetate</p> <p>/3_alkynylation_of_1b_copper/: alkynylation involving Cu(OAc)2 additive</p> <p>/4_arene_site_selectivity_ortho_para/: site selectivity studies for C-H activation</p> <p>/5_alternative_oxidative_addition_TSs/: oxidative addition TSs that all have higher activation barriers that 1,2-migratory insertion TSs</p> <p>/6_ethynyltrimethylsilane_1c/: alkynylation reaction using substrate 1c, including regioconvergence studies</p> <p>/7_bromoethynylbenzene_1d/: alkynylation reaction using substrate 1d, including regioconvergence studies</p> <p>/8_other_substrates/: alkynylation reaction using </p> <p> - substrates 1e-1h (TIPS-, TBDMS-, TES-alkynyl bromide and siloxy-substituted alkynyl bromide), </p> <p> - arene substrates 4, 5, 12 having different substituents</p> <p> - substrates for products 17-19 with different DG tether lengths</p> <p>including regioconvergence studies</p>
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