CCL: Change Stereocenter specifically



Hi,
 
You might try the Reactor tool of ChemAxon (http://www.chemaxon.com/jchem/doc/user/Reactor.html#stereo). You can specify inversion on the corresponding atom at the reaction center and batch run it on your molecules. You can run it from the GUI, but it is even simpler to use the command line:
 
react mymolecules.sdf -r inversion.rxn -o results.sdf -f sdf
 
Best wishes,
 
Gyorgy