As described it cannot be done using SMARTS. Every query atom in a SMARTS
pattern must correspond to a single real atom in a molecule. This is true
even for [*] which matches exactly one atom (not like the regular
expression *).
You'll have to do it in code, or else use a different query language that
might support it (and something other than OB in that case).
- Noel
On 16 January 2017 at 09:10, Gravestock David GBJH <
david.gravest...@syngenta.com> wrote:
> I wonder if anybody could please help me construct a specific SMARTS
> pattern.
>
>
>
> I want to describe the following general compound where Ch = chain of
> indeterminate length (i.e. non-ring linker) and Rn = ring linker (any size
> ring, aliphatic or aromatic).
>
>
>
>
>
> I have developed the following SMARTS pattern but I don’t know how to
> adapt it to fully describe the general compound above.
>
>
>
> [*R0](~[CX3]([NX3])=[OX1])C[*R1]~[CX3]-,=[OX1]
>
>
>
> Any help you could give me would be much appreciated.
>
>
>
> Many thanks
>
> David
>
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