Hello,
I cant figure out how to write a general SMARTS pattern for some cases, so for example for the simple case of a nitrogen heterocycle, we can simply have [n,NR]
, but what if i am trying to match a nitrogen heterocyle that does not have an oxygen in the same cycle? I cant think of a general pattern that would work for any ring size. The only thing i can think off is to write one for each ring size like [#7R]1@[!#8R]@[!#8R]@[!#8R]1
for a 4 membered heterocyle, but this will quickly get tedious and as mentioned not a general solution. Thanks in advance!