Fig. 3: Enantioselectivity prediction of the Cp*Co(III)/CCA-catalyzed C–H alkylation of indoles with central and axial chirality using machine learning modelling without knowledge transfer. | Nature Communications

Fig. 3: Enantioselectivity prediction of the Cp*Co(III)/CCA-catalyzed C–H alkylation of indoles with central and axial chirality using machine learning modelling without knowledge transfer.

From: Data-driven design of new chiral carboxylic acid for construction of indoles with C-central and C–N axial chirality via cobalt catalysis

Fig. 3

a Overview of the target C–H alkylation of indoles with central and axial chirality. b Enantioselectivity change of the Cp*Co(III)/CCA-catalyzed C–H alkylation when varying the indole substrates. c Enantioselectivity predictions of the target C–H alkylation of indoles with central and axial chirality using the machine learning model trained by the statistics of the C–H alkylation without axial chirality. Source data are presented in the Source_Data.

Back to article page