1. Home
  2. Package
  3. EAWAG-BBD - 2025-04-29 19:23
  4. Rule
  5. bt0269-3646

n-Hexane derivative > (1-Methylpentyl)succinate derivative

Image Representation

SMIRKS Representation

[#6:10]-[#6:11]([H])([H])-[#6:12]([H])([H])-[#6:13]([H])([H])-[#6:2]([H])([H])-[#6:14]([H])([H])([H])>>[#6:10]-[#6:11]([H])([H])-[#6:12]([H])([H])-[#6:13]([H])([H])-[#6:2]([H])(-[#6:14]([H])([H])([H]))-[#6](-[#6]-[#6](-[#8-])=O)-[#6](-[#8-])=O

Reactant SMARTS

[#6:10]-[#6:11]([H])([H])-[#6:12]([H])([H])-[#6:13]([H])([H])-[#6:2]([H])([H])-[#6:14]([H])([H])([H])

Reactant Filter SMARTS

None

Reactant SMARTS

[#6:10]-[#6:11]([H])([H])-[#6:12]([H])([H])-[#6:13]([H])([H])-[#6:2]([H])(-[#6:14]([H])([H])([H]))-[#6](-[#6]-[#6](-[#8-])=O)-[#6](-[#8-])=O

Product Filter SMARTS

None

Included in Composite Rules

Scenarios

Reactions

Pathways