Transformation

Examples

Charge neutralization

Reaction
image1
Molecule
image3
Result
image5

Abbreviation expansion

Reaction
image7
Molecule
image9
Result
image11

Note: source molecule does not contain SGroups, TfO is specified as a pseudoatom.

Abbreviation contraction

Reaction
image13
Molecule
image15
Result
image17

Other examples

Reaction
[*:1]-[#6:2]([H])(-[#8:4][H])-[#6:6]([H])(-[#8:8][H])-[*:10]>>[*:1]-[#6:2](=[#8:4])-[#6:6](=[#8:8])-[*:10].[H][H].[H][H]
image19
Molecule
image21
Result
image23