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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.
Figure 6:Reaction Coordinate Diagrams showing reactions with 0, 1 and 2 intermediates: The double-headed arrow shows the first, second and third step in each reaction coordinate diagram. In all three of these reactions the first step is the slow step because the activation energy from the reactants to the transition state is the highest.
Le Chatelier–Braun principle analyzes the qualitative behaviour of a thermodynamic system when a particular one of its externally controlled state variables, say , changes by an amount , the 'driving change', causing a change , the 'response of prime interest', in its conjugate state variable , all other externally controlled state variables remaining constant.
The Erlenmeyer–Plöchl azlactone and amino acid synthesis, named after Friedrich Gustav Carl Emil Erlenmeyer who partly discovered the reaction, is a series of chemical reactions which transform an N-acyl glycine to various other amino acids via an oxazolone (also known as an azlactone). [1] [2] Azlactone chemistry: step 2 is a Perkin variation
This requires mixing the compounds in a reaction vessel, such as a chemical reactor or a simple round-bottom flask. Many reactions require some form of processing ("work-up") or purification procedure to isolate the final product. [1] The amount produced by chemical synthesis is known as the reaction yield.
The Rothemund reaction. The Rothemund reaction is a condensation/oxidation process that converts four pyrroles and four aldehydes into a porphyrin. It is based on work by Paul Rothemund, who first reported it in 1936. [1] The method underpins more modern synthesis such as those described by Adler and Longo and by Lindsey.
The process of slow neutron capture used to produce nuclides as heavy as 257 Fm is blocked by short-lived isotopes of fermium that undergo spontaneous fission (for example, 258 Fm has a half-life of 370 μs); this is known as the "fermium gap" and prevents the synthesis of heavier elements in such a reaction.
A thermite reaction using iron(III) oxide. The sparks flying outwards are globules of molten iron trailing smoke in their wake. A chemical reaction is a process that leads to the chemical transformation of one set of chemical substances to another. [1]