Herein, we report
an iridium-catalyzed directed C–H amination
methodology developed using a high-throughput experimentation (HTE)-based
strategy, applicable for the needs of automated modern drug discovery.
The informer library approach for investigating the accessible directing
group chemical space, in combination with functional group tolerance
screening and substrate scope investigations, allowed for the generation
of reaction application guidelines to aid future users. Applicability
to late-stage functionalization of complex drugs and natural products,
in combination with multiple deprotection protocols leading to the
desirable aniline matched pairs, serve to demonstrate the utility
of the method for drug discovery. Finally, reaction miniaturization
to a nanomolar range highlights the opportunities for more sustainable
screening with decreased material consumption.
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