Hi Michal,
A key point to consider is that the default bond order in SMARTS is not
single, but "single or aromatic". If you really want to match single bonds
only, you can specify a single bond with "-".
However, it sounds as if you actually expect aromatic bonds to match as
well, since you
Hello,
I am trying to run reactions using RunReactants.
I want to define a general reaבtion involving braking bond in a chain of
one-single bonded carbons: '[#6:1][#6:2][#6:3][#6:4] >>
([#6:1][#6:2].[#6:3][#6:4])'.
When the reaction does not involve any aromatic carbons all works fine, bun
when I
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