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EVODEX.1-P6141

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F52 - Elemental Balance

C-1
O-2

EVODEX.1-M28 - Mass Difference

-43.9898

EVODEX.1-E569 - Reaction Operator E

Reaction Operator E SMIRKS

[#8]=[#6](-[#8]-[H])-[#6:4](=[#6:5])-[H:17]>>[#6:4](=[#6:5])(-[H:17])-[H]

EVODEX.1-C17 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N909 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6](=[#8])-[#6:4](=[#6:5])-[H:17]>>[H]-[#6:4](=[#6:5])-[H:17]

EVODEX.1-Em718 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm30 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#6:6]>>[H]-[#6:6]

EVODEX.1-Nm647 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6743

Full Reaction Rendering

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