|
CONAN (CONnectivity ANalysis) : this name came from Paul Wender’s article (Connectivity Analysis : towards ideal synthesis, P. A. Wender, B. L. Miller, Organic Synthesis Theory and its Applications, T. Hudlicky Eds. ; J.A.I. Press ; 1993, vol. 2, pp. 27-66). In the past we developed two programs to search for the key step of a synthesis (SAS and REKEST, see Miscellaneous), they were written on an AppleII and since this microcomputer disapeared these programs became unavailable. But the recent paper of Paul Wender which shows the interest to dissect the skeleton of the target incitated us to develop a new program including these two approaches with several improvements. A first version was written in QuickBasic for IBM/PC and a more recent one for a Macintosh. This last version is presented here. A Visual Basic for PC is under development.
CONAN works on the skeleton of the target. The options available are :
- Delete one or two bonds. (This option is detailed in the SAS program)
- Add one bond.
- Search for convergent cuts.
- Search for linear precursors. (This option has been developed in the SLIP program)
- Search for precursors with a given number of rings and chains.
- Cutting from general schemes : [4+2], [2+2+2], etc.
CONAN don’t give solutions, its aim is to show possible cuttings which could suggest interesting ideas.
Examples of “solutions” suggested for the taxane framework by adding one bond :
|
