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EVODEX.1-P6349

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:6][C@:5](C#N)([C:4]([C:3]([C:2]([C:1]([H:23])([H:24])[H:25])([H:21])[H:22])([H:19])[H:20])([H:17])[H:18])[C:9]([C:10]([H:12])([H:13])[H:14])([H:15])[H:16]>>[C:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[C:9]([C:10]([H:12])([H:13])[H:14])([H:15])[H:16])([H:17])[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])([H:24])[H:25]

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-R6948

Full Reaction Rendering

[H][O:6][C@@:5]([C:4]([C:3]([C:2]([C:1]([H:23])([H:24])[H:25])([H:21])[H:22])([H:19])[H:20])([H:17])[H:18])([C:7]#[N:8])[C:9]([C:10]([H:12])([H:13])[H:14])([H:15])[H:16]>>[C:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[C:9]([C:10]([H:12])([H:13])[H:14])([H:15])[H:16])([H:17])[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])([H:24])[H:25].[H][C:7]#[N:8]