[Ambit-users] [URGENT] Issues with my SMIRKS reaction. Need help

On Sun, Jul 10, 2016 at 7:57 PM, Yannick .Djoumbou <y.d...@gm...>
wrote:

> Hi all,
>
> I have some issues with my SMIRKS manager.
> have written the SMIKRS below that I am applying on one compounds:
>
> [#6;A;H2X4:7]!@-[#6;A;H2X4:6]!@-[#8;X2:5][P;X4:4]([#8;X2:2])
> ([#8;A;X2H1,X1-:3])=[O;X1:1]>>[#8;X2:2][P;X4:4]1(=[O;X1:1])[
> #8;A;X:3][#6;A;H1X4:7]!@-[#6;A;H2X4:6]!@-[#8;X2:5]1
>
>
> I am trying to join two atoms here to form a cycle, The C7 and the O3.  In
>  the reactant, O3 can be linked to a Hydrogen atom (case 1)  or can be
> negatively charged (case 2). The problem is that in the product, the O3 has
> a valence of 3 (with an implicit H) (case 1), or a valence of 2 (case 2).
>
> The examples are illustrated in the attached file.
>
>
> Could anyone help?
>
>
> Thanks.
>
>
> Regards,
>