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. 2017 Nov 16;3(12):1237–1245. doi: 10.1021/acscentsci.7b00355

Figure 4.

Figure 4

Example retrosynthetic predictions when pooling all reaction classes. The model successfully proposes the recorded reactants with rank 1, corresponding to an aldol condensation. Other suggestions among the top nine include three ring-closing amidations to build the five-membered ring, two SNAr reactions to install cyclopropamine, and three amine deprotections.