Transformation

Examples

Charge neutralization

Reaction

image1

Molecule

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Result

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Abbreviation expansion

Reaction

image7

Molecule

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Result

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

Abbreviation contraction

Reaction

image13

Molecule

image15

Result

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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

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Result

image23