Hi there, long time no type,
Does anyone know of a good (“as comprehensive as possible”) list of SMARTS patterns for strong acids and bases?
Even if you type only a few as an answer to this question, maybe we can get enough replies to make this a decent/respectable list.
In case you are wondering for what I need this – I want to rebalance protonation state for strong acids/bases. But first I must be able to pick these compounds up.
Thanks,
JP
Would you be happy with a general SMARTS-based pKa prediction tool? Like in AMBIT?