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  5. bt0330-3931

1-halo or 1-pseudohalo-s-Triazine > 1-hydroxy-s-Triazine

Image Representation

SMIRKS Representation

[#6]([H])([H])([H])-[#8:1]-[c:3]1[n:4][c:5](-[$([N]-[C]-[C]),$([N]-[C](-[C])-[C]),$([N]C([C])([C])[C]),$([N]-[C]-[C]-[C]-O-[C]):6])[n:7][c:8](-[$([N]-[C]-[C]),$([N]-[C](-[C])-[C]),$([N]-[C]-[C]-[C]-O-[C]),$([N]-[C](-[C])-[C]-[C]),$([N]):9])[n:10]1>>[#8:1]([H])-[c:3]1[n:4][c:5](-[$([N]-[C]-[C]),$([N]-[C](-[C])-[C]),$([N]C([C])([C])[C]),$([N]-[C]-[C]-[C]-O-[C]):6])[n:7][c:8](-[$([N]-[C]-[C]),$([N]-[C](-[C])-[C]),$([N]-[C]-[C]-[C]-O-[C]),$([N]-[C](-[C])-[C]-[C]),$([N]):9])[n:10]1

Reactant SMARTS

[#6]([H])([H])([H])-[#8:1]-[c:3]1[n:4][c:5](-[$([N]-[C]-[C]),$([N]-[C](-[C])-[C]),$([N]C([C])([C])[C]),$([N]-[C]-[C]-[C]-O-[C]):6])[n:7][c:8](-[$([N]-[C]-[C]),$([N]-[C](-[C])-[C]),$([N]-[C]-[C]-[C]-O-[C]),$([N]-[C](-[C])-[C]-[C]),$([N]):9])[n:10]1

Reactant Filter SMARTS

None

Reactant SMARTS

[#8:1]([H])-[c:3]1[n:4][c:5](-[$([N]-[C]-[C]),$([N]-[C](-[C])-[C]),$([N]C([C])([C])[C]),$([N]-[C]-[C]-[C]-O-[C]):6])[n:7][c:8](-[$([N]-[C]-[C]),$([N]-[C](-[C])-[C]),$([N]-[C]-[C]-[C]-O-[C]),$([N]-[C](-[C])-[C]-[C]),$([N]):9])[n:10]1

Product Filter SMARTS

None

Included in Composite Rules

Scenarios

Reactions

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