1-Amino-5-benzoyl-4-phenyl-1H-pyrimidine-2-one 1 reacts with several carboxylic anhydrides 2a-d under different conditions and gives new amide and imide derivatives. The structure of these compounds, 3a-d, are determined by spectroscopic methods. Electronic and geometric structures of reactants, transition states, intermediates and final products of the reaction are calculated by the AM1 method. Transition states are further confirmed by vibrational analysis (computation of force constants analytically) and characterized by the corresponding imaginary vibration modes and frequencies.

Die vier Diastereomeren (I)‐(IV) sowie die trans‐ und die cis‐Form von (V) werden als Analoge von Acetylcholin (VI) synthetisiert und anhand ihrer PMR‐Spektren ausführlich hinsichtlich ihrer Stereochemie untersucht.