화학공학소재연구정보센터
Indian Journal of Chemical Technology, Vol.5, No.1, 56-58, 1998
Computer-aided reaction design in pericyclic reactions by using Turbo C
A new concept for the search of unprecedented chemical reactions is presented. With the help of Turbo C (a high level computer language) the complete set of six-centre six-electron (6C-6e) pericyclic reactions has been generated. It looks like a set of known and unknown reactions. The unknown reactions can be predicted and some of them have been successfully performed in the laboratory. In this paper, the design of these new reactions aimed at the synthesis of given classes of compounds is described.