Fig. 4: Chemical synthesis of compounds 1, 2 and 3.
From: Prospective de novo drug design with deep interactome learning
a The synthesis of compound 1 employed a convergent approach, starting from commercially available building blocks 13 and 18, and spanning a total of 10 steps. The longest sequential route involved 6 steps. The overall yield achieved for the synthesis of 1 was 12%. b For the synthesis of compounds 2 as well as its regioisomer 3, the starting material used was a commercial building block 24. These compounds were synthesized through a sequential five-step synthesis. The overall yield obtained for compound 2 was 0.6%, while compound 3 was isolated with a yield of 0.5%. For details see SI13.
