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. 2020 Dec 15;5(51):32984–32994. doi: 10.1021/acsomega.0c04153

Figure 7.

Figure 7

(a, b) Trajectories taken by the REACTOR agent from the same building block for different objectives. Note that the reaction steps are simplified and are mainly indicative of synthesizability. For example, the Negishi coupling reaction would first require the formation of an organozinc precursor. Furthermore, selectivity is low at some steps, which will result in a mixture of products, unless reacting groups are protected.