Fig. 4
From: SAVI Space—combinatorial encoding of the billion-size synthetically accessible virtual inventory
The filtering process of the reactants: 1. Suitable building blocks are selected based on the reaction pattern. 2. The preparation of the reactants for the application of the KILL statements. The reactant is prepared twice, once with (a) the masked leaving group and the enumerated backbone (red), and once with (b) an additional mask on the backbone. 3. The application of the KILL statements on the prepared reactants. In this example, the KILL statement is triggered by the presence of a hetero atom alpha to atom 2 (blue). So the building block is filtered out for this reactant in the Buchwald-Hartwig reaction of amines (Transform 6041).
