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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 representations of chemical structures adhering to certain boundary conditions. The development of such software packages is a research topic of cheminformatics .
The chemical reaction is exothermic and the exterior temperature of the generator will reach 260 °C (500 °F). It will produce oxygen for 12 to 22 minutes. [2] [3] The two-mask generator is approximately 63 mm (2.5 in) in diameter and 223 mm (8.8 in) long. The three-mask generator is approximately 70 mm (2.8 in) in diameter and 250 mm (9.8 in ...
Conditions of reactions (atmosphere, temperature, pressure) are controlled with the help of peripherals like: gas cylinders, vacuum pump, reflux system and cryostat. Modular platforms use a variety of tools in order to perform all operations needed in synthesis. There are many commercial modular hardware solutions available to execute synthesis.
The most common is the change in space and time of the concentration of one or more chemical substances: local chemical reactions in which the substances are transformed into each other, and diffusion which causes the substances to spread out over a surface in space. Reaction–diffusion systems are naturally applied in chemistry. However, the ...
A chemical reaction is a process that leads to the chemical transformation of one set of chemical substances to another. [1] When chemical reactions occur, the atoms are rearranged and the reaction is accompanied by an energy change as new products are generated.
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In chemistry, a reaction mechanism is the step by step sequence of elementary reactions by which overall chemical reaction occurs. [1] A chemical mechanism is a theoretical conjecture that tries to describe in detail what takes place at each stage of an overall chemical reaction. The detailed steps of a reaction are not observable in most cases.