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EVODEX.1-P6228

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:3]([O:4][C:5]1:[C:6]([H:15]):[C:7]([H:16]):[C:8]([O:9][C:10]([H:17])([H:18])[H:19]):[C:11]([C:12](=[O:13])[H:20]):[C:14]:1[H:21])([H:22])([H:23])[H:24]>>[H][O:13][C@@:12](C#N)([C:11]1:[C:8]([O:9][C:10]([H:17])([H:18])[H:19]):[C:7]([H:16]):[C:6]([H:15]):[C:5]([O:4][C:3]([H:22])([H:23])[H:24]):[C:14]:1[H:21])[H:20]

Derived Operators

EVODEX.1-F296 - Elemental Balance

C1
N1
H1

EVODEX.1-M146 - Mass Difference

27.01093

EVODEX.1-E1063 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:9]-[#6:10](=[#8:11])-[H:12]>>[#6](#[#7])-[#6@:10](-[#6:9])(-[#8:11]-[H])-[H:12]

EVODEX.1-C143 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N920 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:3]=[#6:4](-[#6:5])-[H:19]>>[H]-[#8:3]-[#6@@:4](-[#6]#[#7])(-[#6:5])-[H:19]

EVODEX.1-Em729 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm31 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:10]=[#8:11]>>[#6]-[#6:10]-[#8:11]-[H]

EVODEX.1-Nm658 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6834

Full Reaction Rendering

[C:3]([O:4][C:5]1:[C:6]([H:15]):[C:7]([H:16]):[C:8]([O:9][C:10]([H:17])([H:18])[H:19]):[C:11]([C:12](=[O:13])[H:20]):[C:14]:1[H:21])([H:22])([H:23])[H:24].[H][C:1]#[N:2]>>[H][O:13][C@@:12]([C:1]#[N:2])([C:11]1:[C:8]([O:9][C:10]([H:17])([H:18])[H:19]):[C:7]([H:16]):[C:6]([H:15]):[C:5]([O:4][C:3]([H:22])([H:23])[H:24]):[C:14]:1[H:21])[H:20]