Intramolecular reactions have stopped working?

User ac9e79dc7d

30-07-2016 17:56:21

I am having a problem with an intramolecular cyclization reaction. For the reaction, I am mapping the reactive centers as two different molecules, then highlighting both molecules and selecting "Merge Reactants".


I then select the file with the input molecules, set it to enumerate sequentially, and then when I enumerate it creates zero products every time. I did the same exercise last year with no issue.


I am making fairly large and complex macrocycles, but I tested this also with a simple Williamson ether-type reaction and the same thing occurs - see screenshots below:


Is there an additional option I need to select to make an intramolecular reaction work or has this feature become broken?





ChemAxon e08c317633

01-08-2016 09:57:53

It seems the R-group notation doesn't work with intramolecular reactions. Replace R1 and R2 groups with carbon atoms (query notation) and it will work.