SMARTS jcsearch question

Hi,

I get the following results using jcsearch:

./jcsearch -q '[!#1]-[P+](-[C-](-*)-*)(-[!#1])-[!#1]' 'C[C-](C)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1'

 

finds hit

 

./jcsearch -q '[!#1]-[P+](-[C-](-*)-*)(-[!#1])-[!#1]' '[CH2-][P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1'

 

finds no hit

 

I would like a SMARTS string that recognizes any two atoms single-bonded to the negatively-charge C, but the SMARTS I'm using doesn't recognize CH2-.

 

Can you provide any advice?

 

Thanks very much,

 

Andrew

Hi Andrew,

 

There will be hit if you change the Any atom (*) into "any or hydrogen" ([*,#1]).

So the full SMARTS: [!#1][P+]([!#1])([!#1])[C-]([*,#1])[*,#1]

 

You can explore the SMARTS matching easily using this web page:

http://www.chemaxon.com/jchem/examples/sss/index.jsp

 

Best regards,

Szabolcs

Thank you for the fast reply .. I had assumed "any" (by definition) included hydrogen .. smile.