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- W1969144237 abstract "The minimum energy conformations of quinine, quinidine, ephedrine and N-methyl-ephedrine have been calculated using molecular mechanics and semi-empirical techniques. Conformational data for quinine and quinidine in solution have been obtained by 2D-NMR. No evidence has been found for an earlier proposed conformational change of the catalysts3 in the asymmetric Michael addition between cycloalkenones and aromatic thiols. The preferred orientations between 4-methylbenzenethiol and quinine have been predicted with molecular docking calculations; they are in good agreement with NOESY NMR data. The results obtained by this combined NMR and molecular modelling approach suggest a new model for the transition state of alkaloid-catalyzed addition of aromatic thiols to 2-cyclohexenone." @default.
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- W1969144237 date "1989-01-01" @default.
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- W1969144237 title "Conformational analysis of some chiral catalysts of the cinchona<sup>1</sup> and ephedra<sup>2</sup> family. The alkaloid catalyzed addition of aromatic thiols to cyclic α,β-unsaturated ketones" @default.
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- W1969144237 doi "https://doi.org/10.1002/recl.19891080507" @default.
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