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. 2018 Nov 16;4(11):1465–1476. doi: 10.1021/acscentsci.8b00357

Figure 3.

Figure 3

Example of model predictions compared with recorded context (temperature rounded to the closest integer; black text represents the recorded conditions, and blue text represents the predicted conditions). (A) Nucleophilic epoxidation. (B) Deprotection of fluorenylmethyloxycarbonyl (Fmoc). (C) Luche reduction of eneone, TBS = tert-butyl(dimethyl)silyl. (D) Buchwald–Hartwig aryl amination, BINAP = 2,2′-bis(diphenylphosphino)-1,1′-binaphthyl. (E) Suzuki-Miyaura coupling, CyJohnPhos = (2-biphenyl)dicyclohexylphosphine. (F) Hoveyda–Grubbs cross metathesis.