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EVODEX.1-P5953

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3](=[C:4]([C:5]#[N:6])[H:9])[H:10])([H:11])[H:12])([H:13])([H:14])[H:15].[H][O:7][H]>>[H]O[C:5]([C:4](=[C:3]([C:2]([C:1]([H:13])([H:14])[H:15])([H:11])[H:12])[H:10])[H:9])=[O:7].[H][N:6]([H])[H]

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-C137 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:5]#[#7:6].[H]-[#8:7]-[H]>>[H]-[#8]-[#6:5]=[#8:7].[H]-[#7:6](-[H])-[H]

EVODEX.1-N58 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:4]-[#6:5]#[#7:6].[H]-[#8:7]-[H]>>[H]-[#8]-[#6:5](-[#6:4])=[#8:7].[H]-[#7:6](-[H])-[H]

EVODEX.1-Em685 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:3]=[#6:4]-[#6:5]#[#7:6].[H]-[#8:7]-[H]>>[H]-[#8]-[#6:5](-[#6:4]=[#6:3])=[#8:7].[H]-[#7:6](-[H])-[H]

EVODEX.1-Cm106 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:5]#[#7:6].[H]-[#8:7]-[H]>>[#8]-[#6:5]=[#8:7].[H]-[#7:6](-[H])-[H]

EVODEX.1-Nm89 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:4]-[#6:5]#[#7:6].[H]-[#8:7]-[H]>>[H]-[#8]-[#6:5](-[#6:4])=[#8:7].[H]-[#7:6](-[H])-[H]

Source Full Reactions

EVODEX.1-R6599

Full Reaction Rendering

[C:1]([C:2]([C:3](=[C:4]([C:5]#[N:6])[H:9])[H:10])([H:11])[H:12])([H:13])([H:14])[H:15].[H][O:7][H].[H][O:8][H:18]>>[C:1]([C:2]([C:3](=[C:4]([C:5](=[O:7])[O:8][H:18])[H:9])[H:10])([H:11])[H:12])([H:13])([H:14])[H:15].[H][N:6]([H])[H]