is a gist showing it (I hope):
https://gist.github.com/jepdavidson/ec1664a8bfa8b921262fc844c0e523e4
Kind regards
James
From: Katrina Lexa
Sent: 21 August 2023 14:58
To: James Davidson
Cc: RDKit Discuss
Subject: Re: [Rdkit-discuss] rdDeprotect & DeprotectData
acids and esters will match the pattern twice).
>
> Kind regards
>
> James
> --
> *From:* Katrina Lexa
> *Sent:* 21 August 2023 06:03
> *To:* RDKit Discuss
> *Subject:* [Rdkit-discuss] rdDeprotect & DeprotectData
>
> Hi All,
>
es instead:
reaction_smarts = "[c:1][B;R0](O)O>>[*:1]"
In either case you probably want to deduplicate products (the boronic acids and
esters will match the pattern twice).
Kind regards
James
From: Katrina Lexa
Sent: 21 August 2023 06:
Hi All,
I don't know why I'm struggling so much with this, as it seems like it
should be pretty straight forward. I'm trying to add some additional
deprotection smirks to a data-cleaning python script and I'm not having
success with the new reactions actually transforming my reactants to
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