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EVODEX.1-P6217

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F295 - Elemental Balance

C-1
N-1
H-1

EVODEX.1-M145 - Mass Difference

-27.01093

EVODEX.1-E1062 - Reaction Operator E

Reaction Operator E SMIRKS

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

EVODEX.1-C144 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N924 - Reaction Operator N

Reaction Operator N SMIRKS

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

EVODEX.1-Em733 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:7]-[#6:6](-[#6]#[#7])(-[#6:5])-[#6:10]>>[#6:5]-[#6:6](=[#8:7])-[#6:10]

EVODEX.1-Cm48 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm662 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:7]-[#6:6](-[#6]#[#7])(-[#6:5])-[#6:10]>>[#6:5]-[#6:6](=[#8:7])-[#6:10]

Source Full Reactions

EVODEX.1-R6823

Full Reaction Rendering

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