Fig. 7. Top-scoring syntheses of Clofedanol proposed by Chematica under different yield scenarios. (a) Chematica's screenshots of the three top-scoring syntheses obtained with yields of all steps set to 99%. (b) Ordering of these top-scoring solutions changes when the yield is set to a more realistic 80%. (c) Chemical details of the pathways. RxC specifies the fixed cost of performing each reaction on a 1 mmol scale ($1). Yellow numbers over reaction arrows are fixed costs rescaled to the scale required to ultimately make 1 mmol of the target. Colors of the nodes and all legends are explained in the caption to Fig. 6. For further details including reaction conditions suggested by Chematica, see the ESI, Section S5.† .
