Abstract The semiempirical PM3 study of the catalytic activity of [(2S)‐1‐benzylpyrrolidinyl]methanethiol 1 , S‐([(2S)‐1‐(2,2‐dimethylpropanoyl)pyrrolidinyl]methyl)ethanethioate 2 and [(2S)‐1‐neopentylpyrrolidinyl]methanethiol 3 is described here, also an alternative mechanism for thioacetates type ligands is proposed.
