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EVODEX.1-P6238

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E171 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:5]-[#6@:6](-[#8:7]-[H])(-[#6:8]#[#7:9])-[#6:10]>>[#6:5]-[#6:6](=[#8:7])-[#6:10].[#6:8](#[#7:9])-[H]

EVODEX.1-C3 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:5]-[#6:4]-[#6:6]>>[#6:4]=[#8:5].[H]-[#6:6]

EVODEX.1-N919 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:3]-[#6@:2](-[#6:1])(-[#6:4]#[#7:5])-[#6:6]>>[#6:1]-[#6:2](=[#8:3])-[#6:6].[H]-[#6:4]#[#7:5]

EVODEX.1-Em728 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:3]-[#6:2](-[#6:1])(-[#6:4]#[#7:5])-[#6:6]>>[#6:1]-[#6:2](=[#8:3])-[#6:6].[H]-[#6:4]#[#7:5]

EVODEX.1-Cm26 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:5]-[#6:4]-[#6:6]>>[#6:4]=[#8:5].[H]-[#6:6]

EVODEX.1-Nm657 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:3]-[#6:2](-[#6:1])(-[#6:4]#[#7:5])-[#6:6]>>[#6:1]-[#6:2](=[#8:3])-[#6:6].[H]-[#6:4]#[#7:5]

Source Full Reactions

EVODEX.1-R6844

Full Reaction Rendering

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