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EVODEX.1-P6237

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F296 - Elemental Balance

C1
N1
H1

EVODEX.1-M146 - Mass Difference

27.01093

EVODEX.1-E1064 - Reaction Operator E

Reaction Operator E SMIRKS

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

EVODEX.1-C143 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N926 - Reaction Operator N

Reaction Operator N SMIRKS

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

EVODEX.1-Em735 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm31 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm664 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6843

Full Reaction Rendering

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