PostEra

Submission ANT-DIA-3c7

https://covid.postera.ai/covid/submissions/3c79be55-6044-4966-b3bd-3eca32e15db9

The five compounds seem to all be easily synthesizable from Enamine building blocks (as Anthony nicely designed them that way).

Compounds 2, 3, and 5 look to be one step syntheses from Enamine in stock compounds. 1 and 4 look to be very doable two step syntheses. Will double check with Enamine in the morning.

For ANT-DIA-3c7-1, Our technology finds the following route from Enamine’s building blocks: It should be an easy one step reaction ready to send off.

Screen Shot 2020-03-16 at 11.42.53 PM

For ANT-DIA-3c7-2,

We again find a simple one step amidation from Enamine building blocks.

Screen Shot 2020-03-16 at 11.46.26 PM

ANT-DIA-3c7-3 is a bit harder. Our algorithm finds two routes, one involving two steps with a SNAr and the other using two steps with a Buchwald-Hartwig. Unfortunately, neither is amenable to highly parallel chemistry.

This one may need a slight redesign – can work on tomorrow.

ANT-DIA-3c7-4 should hopefully be simple. Screen Shot 2020-03-16 at 11.59.39 PM

And ANT-DIA-3c7-5 should be do-able, though probably less easy than 1,2,4. One can also start with the Chlorinated, or Brominated species, but the SNAr I think works best with the fluorine species.

Sorry the routes are so ugly, I was running locally to integrate Enamine’s data quickly

Screen Shot 2020-03-17 at 12.17.55 AM