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EVODEX.1-P5911

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

N#[C:2][C:3]([C:4]([C:5]([C:6]1:[C:7]([H:14]):[C:8]([H:15]):[C:9]([H:16]):[C:10]([H:17]):[C:11]:1[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])[H:24]>>[H]O[C:2](=O)[C:3]([C:4]([C:5]([C:6]1:[C:7]([H:14]):[C:8]([H:15]):[C:9]([H:16]):[C:10]([H:17]):[C:11]:1[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])[H:24]

Derived Operators

EVODEX.1-F492 - Elemental Balance

O2
N-1
H1

EVODEX.1-M81 - Mass Difference

18.994529999999997

EVODEX.1-E1310 - Reaction Operator E

Reaction Operator E SMIRKS

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

EVODEX.1-C138 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N59 - Reaction Operator N

Reaction Operator N SMIRKS

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

EVODEX.1-Em133 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm107 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm90 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6577

Full Reaction Rendering

[N:1]#[C:2][C:3]([C:4]([C:5]([C:6]1:[C:7]([H:14]):[C:8]([H:15]):[C:9]([H:16]):[C:10]([H:17]):[C:11]:1[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])[H:24].[H][O:12][H].[H][O:13][H:27]>>[C:2]([C:3]([C:4]([C:5]([C:6]1:[C:7]([H:14]):[C:8]([H:15]):[C:9]([H:16]):[C:10]([H:17]):[C:11]:1[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])[H:24])(=[O:12])[O:13][H:27].[H][N:1]([H])[H]