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Keywords:

  • algorithms;
  • chemical networks;
  • one-pot reactions;
  • synthetic methods
Thumbnail image of graphical abstract

Computational algorithms are used to identify sequences of reactions that can be performed in one pot. These predictions are based on over 86 000 chemical criteria by which the putative sequences are evaluated. The “raw” algorithmic output is then validated experimentally by performing multiple two-, three-, and even four-step sequences. These sequences “rewire” synthetic pathways around popular and/or important small molecules.