Enum: ReactionTypeEnum

Types of chemical reactions

URI: valuesets:ReactionTypeEnum

Permissible Values

Value	Meaning	Description
SYNTHESIS	None	Combination reaction (A + B → AB)
DECOMPOSITION	None	Breakdown reaction (AB → A + B)
SINGLE_DISPLACEMENT	None	Single replacement reaction (A + BC → AC + B)
DOUBLE_DISPLACEMENT	None	Double replacement reaction (AB + CD → AD + CB)
COMBUSTION	None	Reaction with oxygen producing heat and light
SUBSTITUTION	MOP:0000790	Replacement of one group by another
ELIMINATION	MOP:0000656	Removal of atoms/groups forming double bond
ADDITION	MOP:0000642	Addition to multiple bond
REARRANGEMENT	None	Reorganization of molecular structure
OXIDATION	None	Loss of electrons or increase in oxidation state
REDUCTION	None	Gain of electrons or decrease in oxidation state
DIELS_ALDER	RXNO:0000006	[4+2] cycloaddition reaction
FRIEDEL_CRAFTS	RXNO:0000369	Electrophilic aromatic substitution
GRIGNARD	RXNO:0000014	Organometallic addition reaction
WITTIG	RXNO:0000015	Alkene formation from phosphonium ylide
ALDOL	RXNO:0000017	Condensation forming β-hydroxy carbonyl
MICHAEL_ADDITION	RXNO:0000009	1,4-addition to α,β-unsaturated carbonyl

Slots

Name	Description
reaction_type	Types of chemical reactions

Identifier and Mapping Information

Schema Source

• from schema: https://w3id.org/linkml/valuesets

LinkML Source

name: ReactionTypeEnum
description: Types of chemical reactions
from_schema: https://w3id.org/linkml/valuesets
rank: 1000
permissible_values:
  SYNTHESIS:
    text: SYNTHESIS
    description: Combination reaction (A + B → AB)
    annotations:
      aliases:
        tag: aliases
        value: combination, addition
      pattern:
        tag: pattern
        value: A + B → AB
  DECOMPOSITION:
    text: DECOMPOSITION
    description: Breakdown reaction (AB → A + B)
    annotations:
      aliases:
        tag: aliases
        value: analysis
      pattern:
        tag: pattern
        value: AB → A + B
  SINGLE_DISPLACEMENT:
    text: SINGLE_DISPLACEMENT
    description: Single replacement reaction (A + BC → AC + B)
    annotations:
      aliases:
        tag: aliases
        value: single replacement
      pattern:
        tag: pattern
        value: A + BC → AC + B
  DOUBLE_DISPLACEMENT:
    text: DOUBLE_DISPLACEMENT
    description: Double replacement reaction (AB + CD → AD + CB)
    annotations:
      aliases:
        tag: aliases
        value: double replacement, metathesis
      pattern:
        tag: pattern
        value: AB + CD → AD + CB
  COMBUSTION:
    text: COMBUSTION
    description: Reaction with oxygen producing heat and light
    annotations:
      reactant:
        tag: reactant
        value: oxygen
      products:
        tag: products
        value: usually CO2 and H2O
  SUBSTITUTION:
    text: SUBSTITUTION
    description: Replacement of one group by another
    meaning: MOP:0000790
    annotations:
      subtypes:
        tag: subtypes
        value: SN1, SN2, SNAr
    title: substitution reaction
  ELIMINATION:
    text: ELIMINATION
    description: Removal of atoms/groups forming double bond
    meaning: MOP:0000656
    annotations:
      subtypes:
        tag: subtypes
        value: E1, E2, E1cB
    title: elimination reaction
  ADDITION:
    text: ADDITION
    description: Addition to multiple bond
    meaning: MOP:0000642
    annotations:
      subtypes:
        tag: subtypes
        value: electrophilic, nucleophilic, radical
    title: addition reaction
  REARRANGEMENT:
    text: REARRANGEMENT
    description: Reorganization of molecular structure
    annotations:
      examples:
        tag: examples
        value: Claisen, Cope, Wagner-Meerwein
  OXIDATION:
    text: OXIDATION
    description: Loss of electrons or increase in oxidation state
    annotations:
      electron_change:
        tag: electron_change
        value: loss
  REDUCTION:
    text: REDUCTION
    description: Gain of electrons or decrease in oxidation state
    annotations:
      electron_change:
        tag: electron_change
        value: gain
  DIELS_ALDER:
    text: DIELS_ALDER
    description: '[4+2] cycloaddition reaction'
    meaning: RXNO:0000006
    annotations:
      type:
        tag: type
        value: pericyclic
      components:
        tag: components
        value: diene + dienophile
    title: Diels-Alder reaction
  FRIEDEL_CRAFTS:
    text: FRIEDEL_CRAFTS
    description: Electrophilic aromatic substitution
    meaning: RXNO:0000369
    annotations:
      subtypes:
        tag: subtypes
        value: alkylation, acylation
    title: Friedel-Crafts reaction
  GRIGNARD:
    text: GRIGNARD
    description: Organometallic addition reaction
    meaning: RXNO:0000014
    annotations:
      reagent:
        tag: reagent
        value: RMgX
    title: Grignard reaction
  WITTIG:
    text: WITTIG
    description: Alkene formation from phosphonium ylide
    meaning: RXNO:0000015
    annotations:
      product:
        tag: product
        value: alkene
    title: Wittig reaction
  ALDOL:
    text: ALDOL
    description: Condensation forming β-hydroxy carbonyl
    meaning: RXNO:0000017
    annotations:
      mechanism:
        tag: mechanism
        value: enolate addition
    title: aldol condensation
  MICHAEL_ADDITION:
    text: MICHAEL_ADDITION
    description: 1,4-addition to α,β-unsaturated carbonyl
    meaning: RXNO:0000009
    annotations:
      type:
        tag: type
        value: conjugate addition
    title: Michael addition