Suzuki reaction

This dataset reports palladium-catalyzed Suzuki cross-coupling between 2-bromophenyltetrazole and an electron-deficient aryl boronate. Four reaction conditions can be controlled to maximise the reaction yield. 1

The dataset includes 247 samples with four parameters and one objective.

Feature	Kind	Settings	Description
temperature	continuous	[ 75, 90]	temperature of the reaction [Celsius]
Pd mol	continuous	[ 0.5, 5.0]	loading of Pd catalyst [mol %]
ArBpin	continuous	[ 1.0, 1.8]	equivalents of boronate ester
K3PO4	continuous	[ 1.5, 3]	equivalents of tripotassium phosphate

Objective	Kind	Goal
yield	continuous	maximize

Reference

1

6. Häse, M. Aldeghi, R.J. Hickman, L.M. Roch, M. Christensen, E. Liles, J.E. Hein, A. Aspuru-Guzik. Olympus: a benchmarking framework for noisy optimization and experiment planning. arXiv (2020), 2010.04153.