substructure search with explicit H

User f05f6b8c05

16-08-2012 23:13:54

Hi,


We are using jchem 5.8.3.


Can you clarify why below search returns a result?  The intention is that explicit H's in the query should prevent this match.


 


./jcsearch -t:s -q '[H]C1=CN=CC([H])=N1' 'CC1=CN=CC(C)=N1'


returns:


CC1=CN=CC(C)=N1


Thank you very much.


Andrew

 

ChemAxon 9c0afc9aaf

17-08-2012 03:46:53

Hi,


 


The structure is symmetric, and apart from the two connecting carbon atoms there are tow implicit hydrogen atoms on the target as well.


Probably it's easier to see if you visualize the target in Marvin and use 


Structure -> Add -> Add explicit hydrogens.


The searech result is correct.


 


Best regards,


 


Szilard

User f05f6b8c05

17-08-2012 04:13:49

Ha ha ... it is obvious once you point it out .. smile.


Thank you for the help!