Enum: ReactionMechanismEnum

Reaction mechanism types

Permissible Values

Value	Meaning	Description
SN1	None	Unimolecular nucleophilic substitution
SN2	None	Bimolecular nucleophilic substitution
E1	None	Unimolecular elimination
E2	None	Bimolecular elimination
E1CB	None	Elimination via conjugate base
RADICAL	None	Free radical mechanism
PERICYCLIC	None	Concerted cyclic electron reorganization
ELECTROPHILIC_AROMATIC	None	Electrophilic aromatic substitution
NUCLEOPHILIC_AROMATIC	None	Nucleophilic aromatic substitution
ADDITION_ELIMINATION	None	Addition followed by elimination

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
description: Reaction mechanism types
from_schema: https://w3id.org/linkml/valuesets
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