I’m confused by why there is -!:aaaa
Your description suggests this to me:
[cH]1[cH]n[cH][cH]c1[r5]
It at least looks nice on
http://smartsview.zbh.uni-hamburg.de/smartsview/calculate?method=get
> On Mar 29, 2016, at 6:33 AM, Gravestock David GBJH
> <david.gravest...@syngenta.com> wrote:
>
> Good day,
>
> I wonder if somebody could please help me with the construction of a SMARTS
> query.
>
> I am trying to search for compounds that have a five-membered ring attached
> to the para- position of an unsubstituted pyridine ring.
>
> I have tried the following SMARTS expression:
>
> [c1ccncc1]-!:aaaa-!:[r5]
> However when I ran this SMARTS pattern it doesn’t appear to be bringing back
> the expected structures.
> I was also not sure how to specify explicit hydrogen atoms on the pyridine
> ring in the SMARTS expression.
> I wonder if you could please help me with this query? What is the best way
> to construct the necessary SMARTS?
>
> Best regards,
> David
> ______________________________________________________________________________
> David Gravestock, Ph.D.
>
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