Enum: ReactionMechanismEnum

Reaction mechanism types

Permissible Values

Value	Description	Examples	Initiation	Intermediate	Rate Determining	Requirement	Stereochemistry
SN1	Unimolecular nucleophilic substitution				carbocation formation		racemization
SN2	Bimolecular nucleophilic substitution				concerted		inversion
E1	Unimolecular elimination			carbocation
E2	Bimolecular elimination					antiperiplanar
E1CB	Elimination via conjugate base			carbanion
RADICAL	Free radical mechanism		homolytic cleavage
PERICYCLIC	Concerted cyclic electron reorganization	Diels-Alder, Cope
ELECTROPHILIC_AROMATIC	Electrophilic aromatic substitution			arenium ion
NUCLEOPHILIC_AROMATIC	Nucleophilic aromatic substitution					electron-withdrawing groups
ADDITION_ELIMINATION	Addition followed by elimination			tetrahedral

Slots

Name	Description
reaction_mechanism	Reaction mechanism types

Identifier and Mapping Information

Schema Source

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

LinkML Source

name: ReactionMechanismEnum
instantiates:
- valuesets_meta:ValueSetEnumDefinition
description: Reaction mechanism types
title: Reaction Mechanism
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:
  SN1:
    text: SN1
    description: Unimolecular nucleophilic substitution
    annotations:
      rate_determining:
        tag: rate_determining
        value: carbocation formation
      stereochemistry:
        tag: stereochemistry
        value: racemization
  SN2:
    text: SN2
    description: Bimolecular nucleophilic substitution
    annotations:
      rate_determining:
        tag: rate_determining
        value: concerted
      stereochemistry:
        tag: stereochemistry
        value: inversion
  E1:
    text: E1
    description: Unimolecular elimination
    annotations:
      intermediate:
        tag: intermediate
        value: carbocation
  E2:
    text: E2
    description: Bimolecular elimination
    annotations:
      requirement:
        tag: requirement
        value: antiperiplanar
  E1CB:
    text: E1CB
    description: Elimination via conjugate base
    annotations:
      intermediate:
        tag: intermediate
        value: carbanion
  RADICAL:
    text: RADICAL
    description: Free radical mechanism
    annotations:
      initiation:
        tag: initiation
        value: homolytic cleavage
  PERICYCLIC:
    text: PERICYCLIC
    description: Concerted cyclic electron reorganization
    annotations:
      examples:
        tag: examples
        value: Diels-Alder, Cope
  ELECTROPHILIC_AROMATIC:
    text: ELECTROPHILIC_AROMATIC
    description: Electrophilic aromatic substitution
    annotations:
      intermediate:
        tag: intermediate
        value: arenium ion
  NUCLEOPHILIC_AROMATIC:
    text: NUCLEOPHILIC_AROMATIC
    description: Nucleophilic aromatic substitution
    annotations:
      requirement:
        tag: requirement
        value: electron-withdrawing groups
  ADDITION_ELIMINATION:
    text: ADDITION_ELIMINATION
    description: Addition followed by elimination
    annotations:
      intermediate:
        tag: intermediate
        value: tetrahedral