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EVODEX.1-P6338

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-R6937

Full Reaction Rendering

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