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EVODEX.1-P6558

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]O[N:2]=[C:3]([H])[C:4]([C:5]1:[C:6]([H:14]):[C:7]2:[C:8]([H:15]):[C:9]([H:16]):[C:10]([H:17]):[C:11]([H:18]):[C:12]:2:[N:13]:1[H:19])([H:20])[H:21]>>[N:2]#[C:3][C:4]([C:5]1:[C:6]([H:14]):[C:7]2:[C:8]([H:15]):[C:9]([H:16]):[C:10]([H:17]):[C:11]([H:18]):[C:12]:2:[N:13]:1[H:19])([H:20])[H:21]

Derived Operators

EVODEX.1-F33 - Elemental Balance

O-1
H-2

EVODEX.1-M4 - Mass Difference

-18.010559999999998

EVODEX.1-E483 - Reaction Operator E

Reaction Operator E SMIRKS

[#8](-[#7:2]=[#6:3](-[#6:4])-[H])-[H]>>[#7:2]#[#6:3]-[#6:4]

EVODEX.1-C760 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8]-[#7:2]=[#6:3]-[H]>>[#7:2]#[#6:3]

EVODEX.1-N967 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#7:2]=[#6:3](-[H])-[#6:4]>>[#7:2]#[#6:3]-[#6:4]

EVODEX.1-Em786 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8]-[#7:2]=[#6:3](-[H])-[#6:4]>>[#7:2]#[#6:3]-[#6:4]

EVODEX.1-Cm312 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8]-[#7:2]=[#6:3]-[H]>>[#7:2]#[#6:3]

EVODEX.1-Nm707 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8]-[#7:2]=[#6:3](-[H])-[#6:4]>>[#7:2]#[#6:3]-[#6:4]

Source Full Reactions

EVODEX.1-R7138

Full Reaction Rendering

[H][C:3](=[N:2][O:1][H:23])[C:4]([C:5]1:[C:6]([H:14]):[C:7]2:[C:8]([H:15]):[C:9]([H:16]):[C:10]([H:17]):[C:11]([H:18]):[C:12]:2:[N:13]:1[H:19])([H:20])[H:21]>>[N:2]#[C:3][C:4]([C:5]1:[C:6]([H:14]):[C:7]2:[C:8]([H:15]):[C:9]([H:16]):[C:10]([H:17]):[C:11]([H:18]):[C:12]:2:[N:13]:1[H:19])([H:20])[H:21].[H][O:1][H:23]