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EVODEX.1-P6344

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:11][C:10](C#N)([C:3]([C:2]([C:1]([H:24])([H:25])[H:26])([H:22])[H:23])([C:4]1:[C:5]([H:14]):[C:6]([H:15]):[C:7]([H:16]):[C:8]([H:17]):[C:9]:1[H:18])[H:21])[H:20]>>[C:1]([C:2]([C:3]([C:4]1:[C:5]([H:14]):[C:6]([H:15]):[C:7]([H:16]):[C:8]([H:17]):[C:9]:1[H:18])([C:10](=[O:11])[H:20])[H:21])([H:22])[H:23])([H:24])([H:25])[H:26]

Derived Operators

EVODEX.1-F295 - Elemental Balance

C-1
N-1
H-1

EVODEX.1-M145 - Mass Difference

-27.01093

EVODEX.1-E1061 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:7]-[#6@:8](-[#8:9]-[H])(-[#6]#[#7])-[H:13]>>[#6:7]-[#6:8](=[#8:9])-[H:13]

EVODEX.1-C144 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N923 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:4]-[#6@:3](-[#6]#[#7])(-[#6:5])-[H:18]>>[#6:3](=[#8:4])(-[#6:5])-[H:18]

EVODEX.1-Em732 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm48 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#6:14]-[#8:15]-[H]>>[#6:14]=[#8:15]

EVODEX.1-Nm661 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6943

Full Reaction Rendering

[H][O:11][C:10]([C:3]([C:2]([C:1]([H:24])([H:25])[H:26])([H:22])[H:23])([C:4]1:[C:5]([H:14]):[C:6]([H:15]):[C:7]([H:16]):[C:8]([H:17]):[C:9]:1[H:18])[H:21])([C:12]#[N:13])[H:20]>>[C:1]([C:2]([C:3]([C:4]1:[C:5]([H:14]):[C:6]([H:15]):[C:7]([H:16]):[C:8]([H:17]):[C:9]:1[H:18])([C:10](=[O:11])[H:20])[H:21])([H:22])[H:23])([H:24])([H:25])[H:26].[H][C:12]#[N:13]