Enum: ReactionTypeEnum

Types of chemical reactions

URI: valuesets:ReactionTypeEnum

Permissible Values

Value	Title	Meaning	Description	Aliases	Components	Electron Change	Examples	Mechanism	Pattern	Product	Products	Reactant	Reagent	Subtypes	Type
SYNTHESIS			Combination reaction (A + B → AB)	combination, addition					A + B → AB
DECOMPOSITION			Breakdown reaction (AB → A + B)	analysis					AB → A + B
SINGLE_DISPLACEMENT			Single replacement reaction (A + BC → AC + B)	single replacement					A + BC → AC + B
DOUBLE_DISPLACEMENT			Double replacement reaction (AB + CD → AD + CB)	double replacement, metathesis					AB + CD → AD + CB
COMBUSTION			Reaction with oxygen producing heat and light								usually CO2 and H2O	oxygen
SUBSTITUTION	substitution reaction	MOP:0000790	Replacement of one group by another											SN1, SN2, SNAr
ELIMINATION	elimination reaction	MOP:0000656	Removal of atoms/groups forming double bond											E1, E2, E1cB
ADDITION	addition reaction	MOP:0000642	Addition to multiple bond											electrophilic, nucleophilic, radical
REARRANGEMENT			Reorganization of molecular structure				Claisen, Cope, Wagner-Meerwein
OXIDATION			Loss of electrons or increase in oxidation state			loss
REDUCTION			Gain of electrons or decrease in oxidation state			gain
DIELS_ALDER	Diels-Alder reaction	RXNO:0000006	[4+2] cycloaddition reaction		diene + dienophile										pericyclic
FRIEDEL_CRAFTS	Friedel-Crafts reaction	RXNO:0000369	Electrophilic aromatic substitution											alkylation, acylation
GRIGNARD	Grignard reaction	RXNO:0000014	Organometallic addition reaction										RMgX
WITTIG	Wittig reaction	RXNO:0000015	Alkene formation from phosphonium ylide							alkene
ALDOL	aldol condensation	RXNO:0000017	Condensation forming β-hydroxy carbonyl					enolate addition
MICHAEL_ADDITION	Michael addition	RXNO:0000009	1,4-addition to α,β-unsaturated carbonyl												conjugate addition

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
instantiates:
- valuesets_meta:ValueSetEnumDefinition
description: Types of chemical reactions
title: Reaction Type
from_schema: https://w3id.org/linkml/valuesets
contributors:
- orcid:0000-0002-6601-2165
- https://github.com/anthropics/claude-code
status: DRAFT
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