Overview The Reaction Classification system used here is pretty simple, very conventional, and generally intuitive (for a chemical kineticist). It consists of two components: Reaction Class and Reaction Sites.

	Reaction Class Reaction Class is an identifier assigned to each chemical reaction representing both the general class of reaction and the specific type of reaction. A general class of reaction is, for example, an abstraction reaction denoted here R-X+Y. A specific type of reaction is, for example, "an hydrogen atom abstraction from a carbon center by a oxygen centered radical" denoted here C-H+O.

	Reaction Sites Reaction Sites is an identifier assigned to each chemical reaction representing the chemical nature of the sites involved in the reaction. For example, CH3 is used to denote one of the reactive sites in an abstraction reaction from a methyl group (e.g. the terminal groups in propane CH3CH2CH3). For example, CH2 is used to denote an abstraction reaction from the methylene group in propane. The reaction site identifier includes contributions from neighboring chemical functionalities. For example, CH3-Cd is used to denote the methyl group in propene (CH3-CH=CH2). Here, CH3 is adjacent to a "double-bonded" carbon. For example, CH3-Cb is used to denote the methyl group in toluene (Ph-CH3). Here, CH3 is adjacent to an aromatic "benzene" ring. For example, CH2-O-Cb is used to denote the methylene group in benzyl alcohol (Ph-CH2-OH). Here, CH2 is adjacent to an oxygen center and an aromatic "benzene" ring.

	Definitions and Examples

	UNIMOLECULAR Radical Elimination Reaction Class General Form Specific Notation Example Reaction Bond Fission R-X C-H C2H6 = C2H5 + H Radical Combination (reverse of bond fission) R-X (-) C-H (-) C2H5 + H = C2H6 Beta Scission R.S+X C.C-H C2H5 = C2H4 + H Radical Addition (reverse of beta scission) R.S+X (-) C.C-H (-) C2H4 + H = C2H5 Molecular Elimination 1,1-Elimination R-XY C-HH C2H6 = CH3CH: + H2 1,2-Elimination RS-XY CC-HH C2H6 = C2H4 + H2 Isomerization (Substitutional) 1,2 Bond Migration RS\X CC\H 1-Butene = 2-Butene 1,3 Bond Migration RS\X(3) CC\H(3) 1-Hexene = 3-Hexene 1,2 Migration R.S\X C.C\H n-Propyl = sec-Propyl 1,3 Migration R.S\H(3) C.C\H(3) CH3CH=CH* = *CH2CH=CH2 Isomerization (Structural/Geometrical) Structural RS\X/Y CC\H/C 2-Butene CC=CC = Isobutene CC(=C)C Bridged RS\X\Y CC\H\H   Torsional RS/X\Y CC/Cl\Cl Z)-CHCl=CHCl = (E)-CHCl=CHCl Inversion RS./X@Y CC./Cl@Cl Z)-CHCl=CCl* = (E)-CHCl=CCl* Stepwise Unimolecular Combination//Bond Fission R-X//R-X C-H//C-Cl CH2Cl* + H = CH3* + Cl Combination//1,2 Elimination R-X//RS-XY C-C//CC-HH CH3* + CH3* = C2H4 + H2 BIMOLECULAR Metathesis Abstraction R-X+Y C-H+C C2H6 + CH3* = C2H5* + CH4 Disproportionation R.S-X+Y C.C-H+C C2H5* + CH3* = C2H4 + CH4 Substitution/Displacement Displacement R+X:-Y Al+O:-C Al(CH3)3 + H2O = Al(OH)(CH3)2 + CH4 Substitution R+X-Y Al+H-C Al(CH3)3 + H = AlH(CH3)2 + CH3* Stepwise Bimolecular Addition//Beta Scission R.S-X//R.S-X C.C-H//C.C-Cl H2=CHCl + H = CH2=CH2 + Cl

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