[Rdkit-discuss] deprotection of dimthyl acetal?
Open-Source Cheminformatics and Machine Learning
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From: Bennion, B. <ben...@ll...> - 2022-03-02 23:56:57
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Hello All, I have poking about the docs and some emails trying to find a way to deprotect a group compounds. The docs describe the DeprotectData module but I am not making the connection to how that will operate on my molecules. my tentative smarts is here [CX4;H3][O][C:1][O][CX4;H3]>>[C:1]=[O] I was able to access the function and assert the "dataIsValid" for the example case. So I am just missing that next and maybe last step where I can deprotect a list of compounds with this module. Thank you brian |