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GrzybowskiBartosz Andrzej

Grzybowski, Bartosz A.
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Rewiring Chemistry: Algorithmic Discovery and Experimental Validation of One-Pot Reactions in the Network of Organic Chemistry

Author(s)
Gothard, Chris M.Soh, SiowlingGothard, Nosheen A.Kowalczyk, BartlomiejWei, YanhuBaytekin, BilgeGrzybowski, Bartosz A.
Issued Date
2012
DOI
10.1002/anie.201202155
URI
https://scholarworks.unist.ac.kr/handle/201301/33155
Fulltext
https://onlinelibrary.wiley.com/doi/full/10.1002/anie.201202155
Citation
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, v.51, no.32, pp.7922 - 7927
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.
Publisher
WILEY-V C H VERLAG GMBH
ISSN
1433-7851
Keyword (Author)
algorithmschemical networksone-pot reactionssynthetic methods
Keyword
CHEMICAL PROBLEMSECONOMY

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