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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.
where k s is the rate of the studied reaction and is the rate of the reference reaction (R = methyl). δ is a reaction constant that describes the susceptibility of a reaction series to steric effects. For the definition reaction series δ was set to 1 and E s for the reference reaction was set to zero. This equation is combined with the ...
An ICE table or RICE box or RICE chart is a tabular system of keeping track of changing concentrations in an equilibrium reaction. ICE stands for initial, change, equilibrium. It is used in chemistry to keep track of the changes in amount of substance of the reactants and also organize a set of conditions that one wants to solve with. [1]
Print/export Download as PDF; Printable version; ... Well-known reactions and reagents in organic chemistry include 0-9. 1,2-Wittig rearrangement; 1,3-Dipolar ...
In physical organic chemistry, a free-energy relationship or Gibbs energy relation relates the logarithm of a reaction rate constant or equilibrium constant for one series of chemical reactions with the logarithm of the rate or equilibrium constant for a related series of reactions. [1]
Organic chemistry has a strong tradition of naming a specific reaction to its inventor or inventors and a long list of so-called named reactions exists, conservatively estimated at 1000. A very old named reaction is the Claisen rearrangement (1912) and a recent named reaction is the Bingel reaction (1993).
Arrow pushing or electron pushing is a technique used to describe the progression of organic chemistry reaction mechanisms. [1] It was first developed by Sir Robert Robinson.In using arrow pushing, "curved arrows" or "curly arrows" are drawn on the structural formulae of reactants in a chemical equation to show the reaction mechanism.
where A and B are reactants C is a product a, b, and c are stoichiometric coefficients,. the reaction rate is often found to have the form: = [] [] Here is the reaction rate constant that depends on temperature, and [A] and [B] are the molar concentrations of substances A and B in moles per unit volume of solution, assuming the reaction is taking place throughout the volume of the ...