Computer-assisted bilateral synthesis design: A status report

Abstract During the past ten years the advantages of a bilateral approach to synthesis design have been recognized, and efforts have been made to develop a corresponding system of computer programs. Such a system contains two main subunits. One module selects from a list of available starting materials of a synthesis an ensemble of molecules (EM) that is suitable for preparing the given target compound. This is done by substructure correlation. A computer program RAIN (reaction and intermediates networks) that connects the starting materials and target EM of a synthesis by a network of chemical reactions and intermediates is the second main module. In the present paper a status report is given on the development of the aforementioned two modules. The use of RAIN in the elucidation of a complex sequence of reactions with six participating educts serves as an example.