Research Article

Mapping the dark space of chemical reactions with extended nanomole synthesis and MALDI-TOF MS

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Science  24 May 2018:
eaar6236
DOI: 10.1126/science.aar6236

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Abstract

Understanding the practical limitations of chemical reactions is critically important for efficiently planning the synthesis of compounds in pharmaceutical, agrochemical and specialty chemical research and development. However, literature reports of the scope of new reactions are often cursory and biased toward successful results, severely limiting the ability to predict reaction outcomes for untested substrates. We herein illustrate strategies for carrying out large scale surveys of chemical reactivity using a material-sparing nanomole-scale automated synthesis platform with greatly expanded synthetic scope combined with ultra-high throughput (uHT) matrix assisted laser desorption/ionization time of flight mass spectrometry (MALDI-TOF MS).

  • || Welch Innovation, LLC, Cranbury NJ 08512, USA.

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