Greetings, I'm introducing Toby Broom who is keen to learn CML and after talking on the phone we agreed the best thing was to learn by doing. What we've decided to do is a complete markup of a paper in BJOC (because it's open).
Beilstein J Org Chem. 2006; 2: 25. Published online 2006 December 7. doi: 10.1186/1860-5397-2-25. <http://www.pubmedcentral.nih.gov/about/copyright.html>Copyright © 2006 Mohakhud et al; licensee Beilstein-Institut. Diastereoselective synthesis of some novel benzopyranopyridine derivatives Pradeep K Mohakhud, corresponding author 1 Sujeet MR Kumar,1 Vasanth MR Kumar,1 Ravi MR Kumar,1 Moses DR Babu,1 Vyas DR K,1 and Om DR Reddy1 There is an 8-step synthesis with parallel Markush reactions, and a crystal structure. There is good analytical data (so we can map peaks to spectra). It would be nice to create the reactions in JChempaint - is it able to do atom-atom mapping? This is a great opportunity to make sure that CMLReact and CMLSpect work. Who has the latest draft of CMLSpect - perhaps you van mail it to Toby. Members of the Blue Obelisk list will certainly help with any questions. Toby - I imagine you have seen the animations on the MACiE site http://www.ebi.ac.uk/thornton-srv/databases/MACiE/ More later, P. Peter Murray-Rust Unilever Centre for Molecular Sciences Informatics University of Cambridge, Lensfield Road, Cambridge CB2 1EW, UK +44-1223-763069 ------------------------------------------------------------------------- This SF.net email is sponsored by: Microsoft Defy all challenges. Microsoft(R) Visual Studio 2005. http://clk.atdmt.com/MRT/go/vse0120000070mrt/direct/01/ _______________________________________________ Blueobelisk-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
