Enum: ReactionTypeEnum

Classification of chemical reactions based on mechanistic and functional categories

Permissible Values

Value	Meaning	Description
functional_group_interconversion	RXNO:0000057	Conversion of one functional group to another without changing the carbon ske...
bond_formation	None	Reactions that create new bonds between atoms or groups
bond_breaking	None	Reactions that break existing bonds to form fragments or rearrange structures
oxidation	RXNO:0000012	A functional group modification reaction where a functional group is oxidised
reduction	RXNO:0000037	A functional group modification reaction where a functional group is reduced
acylation	RXNO:0000016	Formation of an acyl group bond, typically involving carboxylic acid derivati...
carbon_carbon_bond_formation	RXNO:0000018	Reactions that form new carbon-carbon bonds
heteroatom_alkylation_arylation	RXNO:0000019	Alkylation or arylation of heteroatoms such as nitrogen, oxygen, or sulfur
addition	RXNO:0000041	Reactions that add atoms or groups across multiple bonds
cyclization	RXNO:0000005	Formation of cyclic structures from linear precursors
condensation	MOP:0000627	A reaction in which two or more reactants yield a single main product with ac...
elimination	RXNO:0000656	A molecular process where two groups are lost with concomitant formation of a...
ring_opening	None	Cleavage of cyclic structures to form linear products
hydrolysis	RXNO:0000619	A solvolysis reaction where the solvent material is water
substitution	RXNO:0000331	A reaction step where one atom or group is replaced with another
isomerization	RXNO:0000025	Rearrangement reactions that convert one isomer to another
functional_group_addition	None	Addition of functional groups to unsaturated bonds or reactive centers
aromatic_heterocycle_formation	None	Formation of aromatic rings containing heteroatoms
protection	None	Introduction of protecting groups to temporarily mask reactive functionalitie...
deprotection	None	Removal of protecting groups to restore original functionalities
resolution	None	Separation of enantiomers or other stereoisomers

Slots

Name	Description
reaction_type	Classification of the chemical reaction based on mechanistic and functional c...

Identifier and Mapping Information

Schema Source

from schema: https://w3id.org/chemrof

LinkML Source

name: ReactionTypeEnum
description: Classification of chemical reactions based on mechanistic and functional
  categories
title: reaction_type_enum
from_schema: https://w3id.org/chemrof
rank: 1000
permissible_values:
  functional_group_interconversion:
    text: functional_group_interconversion
    description: Conversion of one functional group to another without changing the
      carbon skeleton
    meaning: RXNO:0000057
  bond_formation:
    text: bond_formation
    description: Reactions that create new bonds between atoms or groups
  bond_breaking:
    text: bond_breaking
    description: Reactions that break existing bonds to form fragments or rearrange
      structures
  oxidation:
    text: oxidation
    description: A functional group modification reaction where a functional group
      is oxidised
    meaning: RXNO:0000012
    is_a: functional_group_interconversion
  reduction:
    text: reduction
    description: A functional group modification reaction where a functional group
      is reduced
    meaning: RXNO:0000037
    is_a: functional_group_interconversion
  acylation:
    text: acylation
    description: Formation of an acyl group bond, typically involving carboxylic acid
      derivatives
    meaning: RXNO:0000016
    is_a: bond_formation
  carbon_carbon_bond_formation:
    text: carbon_carbon_bond_formation
    description: Reactions that form new carbon-carbon bonds
    meaning: RXNO:0000018
    is_a: bond_formation
  heteroatom_alkylation_arylation:
    text: heteroatom_alkylation_arylation
    description: Alkylation or arylation of heteroatoms such as nitrogen, oxygen,
      or sulfur
    meaning: RXNO:0000019
    is_a: bond_formation
  addition:
    text: addition
    description: Reactions that add atoms or groups across multiple bonds
    meaning: RXNO:0000041
    is_a: bond_formation
  cyclization:
    text: cyclization
    description: Formation of cyclic structures from linear precursors
    meaning: RXNO:0000005
    is_a: bond_formation
  condensation:
    text: condensation
    description: A reaction in which two or more reactants yield a single main product
      with accompanying formation of a small molecule
    meaning: MOP:0000627
    is_a: bond_formation
  elimination:
    text: elimination
    description: A molecular process where two groups are lost with concomitant formation
      of an unsaturation in the molecule or formation of a new ring
    meaning: RXNO:0000656
    is_a: bond_breaking
  ring_opening:
    text: ring_opening
    description: Cleavage of cyclic structures to form linear products
    is_a: bond_breaking
  hydrolysis:
    text: hydrolysis
    description: A solvolysis reaction where the solvent material is water
    meaning: RXNO:0000619
    is_a: bond_breaking
  substitution:
    text: substitution
    description: A reaction step where one atom or group is replaced with another
    meaning: RXNO:0000331
  isomerization:
    text: isomerization
    description: Rearrangement reactions that convert one isomer to another
    meaning: RXNO:0000025
  functional_group_addition:
    text: functional_group_addition
    description: Addition of functional groups to unsaturated bonds or reactive centers
  aromatic_heterocycle_formation:
    text: aromatic_heterocycle_formation
    description: Formation of aromatic rings containing heteroatoms
  protection:
    text: protection
    description: Introduction of protecting groups to temporarily mask reactive functionalities
  deprotection:
    text: deprotection
    description: Removal of protecting groups to restore original functionalities
  resolution:
    text: resolution
    description: Separation of enantiomers or other stereoisomers