I have a .SDF file and I want to perform a hydrolysis reaction. In particular, I want to attack the nitrogen with no hydrogens attached in a cytosine ring. I don’t know what the products should be. In fact, I want to figure out the products. Is there a Node I can use to perform such a reaction?
I tried using RDKit One Component Reaction but it required a SMARTS string as a reaction query. The SMARTS documentation by Daylight was not very helpful. Does anyone know a better tut/documentation?
I tried writing a SMARTS string as [N&H0;R] which would filter out the nitrogen I want but I don’t know how to write the transformation part. How do I make it react with H2O? Or does Knime not allow a way for this?