School of Science Department of Chemistry 9 Data Analytics of Homogeneous Transition Metal Catalyzed Reactions Supervisor: SU, Haibin / CHEM Student: WANG, Yizhou / CHEM Course: UROP4100, Fall Nowadays, transitional metal catalysis has been more and more popular in organic synthesis. The special properties nickel possesses enable nickel catalysts to stabilize paramagnetic intermediates, access radical pathways and slower the β-elimination. C-O activation reactions has appealed chemists’ attention for a few decades because of the extensive distribution of oxygen-containing functional groups in organic compounds. C-O bonds can sometimes be chemically active under certain conditions, while in some compounds like alcohols or ethers, C-O bonds can be inert and hard to be broken. Data Analytics of Homogeneous Transition Metal Catalyzed Reactions Supervisor: SU, Haibin / CHEM Student: WONG, Jemson Jun Peng / COMP Course: UROP1000, Summer UROP1100, Spring Homogeneous transition metal-catalysed reactions are important chemical reactions for synthesising organic molecules. Our project would be to analyse the trend of the reaction from the past, including the use of the ligand and the reaction condition. In scope, we would use trained machine learning to provide a suitable chemical condition for any new unknown reaction. In the process of analysis, we would also be able to learn the key to the reaction’s success and failure. As a beginner in the research field, I would be working on data extraction and analysis with Mr Imanuel Rava as an entry procedure for the project. In the following, I will illustrate the methodology for data extraction and introduce the fundamental knowledge before the extraction. In the end, report the result from the data analytics. I am grateful for the assistance provided by our project team.
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