Structure–Selectivity Relationship in Ruthenium-Catalyzed Regio- and Stereoselective Addition of Alkynes to Pyrazoles: An Experimental and Theoretical Investigation
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https://figshare.com/articles/dataset/Structure_Selectivity_Relationship_in_Ruthenium_Catalyzed_Regio_and_Stereoselective_Addition_of_Alkynes_to_Pyrazoles_An_Experimental_and_Theoretical_Investigation/2237860
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Ruthenium(II) complexes, [Ru(dppe)(PPh3)(CH3CN)2Cl][BPh4] {dppe = diphenylphosphinoethane} (1) and [Ru(dppp)2(CH3CN)Cl][BPh4] (2) {dppp = diphenylphosphinopropane}, are efficient catalysts for vinylation of pyrazoles by alkynes. While the 1-catalyzed reaction is trans-selective, the corresponding 2-catalyzed reaction is cis-selective. The experimental results have been rationalized by density functional theory calculations.
创建时间：
2016-02-16
