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Computer-assisted organic synthesis software is a type of application software used in organic chemistry in tandem with computational chemistry to help facilitate the tasks of designing, predicting, and producing chemical reactions. CAOS aims to identify a series of chemical reactions which, from a starting compound, can produce a desired molecule.
A chemical graph generator is a software package to generate computer ... project in organic chemistry. [3] ... screening based on the given reaction ...
Polycondensation involves the formation of polymers through condensation reactions between different species, creating condensation polymers. With automated synthesis, General electric manufactured an approach for melt-polymerizations of BPA and diphenyl carbonate (DPC), using sodium hydroxide (NaOH) as the catalyst. [ 15 ]
SMILES generation algorithm for ciprofloxacin: break cycles, then write as branches off a main backbone. The Simplified Molecular Input Line Entry System (SMILES) is a specification in the form of a line notation for describing the structure of chemical species using short ASCII strings.
Open Reaction Database ORD consortium Organic reactions machine-readable reaction schemes "ORD" [8] 2,000,000 OrgSyn Organic Syntheses: Organic Syntheses, Inc. Reliable chemical reactions Searchable experimental procedures Peer reviewed "OrgSyn search". PDB PDBe Protein Data Bank in Europe EMBL-EBI: has some chemicals as well as proteins "PDBe".
In organic chemistry, the Swern oxidation, named after Daniel Swern, is a chemical reaction whereby a primary or secondary alcohol (−OH) is oxidized to an aldehyde (−CH=O) or ketone (>C=O) using oxalyl chloride, dimethyl sulfoxide (DMSO) and an organic base, such as triethylamine.
Markovnikov's rule is illustrated by the reaction of propene with hydrobromic acid. In organic chemistry, Markovnikov's rule or Markownikoff's rule describes the outcome of some addition reactions. The rule was formulated by Russian chemist Vladimir Markovnikov in 1870. [1] [2] [3]
Well-known reactions and reagents in organic chemistry include 0-9. 1,2-Wittig rearrangement ... List of organic reactions. 5 languages ...