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EVODEX.1-P5939

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F492 - Elemental Balance

O2
N-1
H1

EVODEX.1-M81 - Mass Difference

18.994529999999997

EVODEX.1-E1311 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#6:3](-[#8:4])(-[#6:5]#[#7])-[H:10]>>[#6:2]-[#6@:3](-[#8:4])(-[#6:5](=[#8])-[#8]-[H])-[H:10]

EVODEX.1-C716 - Reaction Operator C

Reaction Operator C SMIRKS

[#7]#[#6:10]-[#6:8]>>[H]-[#8]-[#6:10](=[#8])-[#6@@:8]

EVODEX.1-N882 - Reaction Operator N

Reaction Operator N SMIRKS

[#7]#[#6:10]-[#6:8](-[#6:7])(-[#8:9])-[H:19]>>[H]-[#8]-[#6:10](=[#8])-[#6@@:8](-[#6:7])(-[#8:9])-[H:19]

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-R6594

Full Reaction Rendering

[C:1]([C:2]1:[C:3]([H:14]):[C:4]([H:15]):[C:5]([H:16]):[C:6]([H:17]):[C:7]:1[C:8]([O:9][H:18])([C:10]#[N:11])[H:19])([H:20])([H:21])[H:22].[H][O:12][H].[H][O:13][H:25]>>[C:1]([C:2]1:[C:3]([H:14]):[C:4]([H:15]):[C:5]([H:16]):[C:6]([H:17]):[C:7]:1[C@@:8]([O:9][H:18])([C:10](=[O:12])[O:13][H:25])[H:19])([H:20])([H:21])[H:22].[H][N:11]([H])[H]