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EVODEX.1-P6218

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E100 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:7]-[#6@:8](-[#8:9]-[H])(-[#6:10]#[#7:11])-[H:13]>>[#6:7]-[#6:8](=[#8:9])-[H:13].[#6:10](#[#7:11])-[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-N925 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:4]-[#6@:3](-[#6:2]#[#7:1])(-[#6:5])-[H:18]>>[#6:3](=[#8:4])(-[#6:5])-[H:18].[H]-[#6:2]#[#7:1]

EVODEX.1-Em734 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

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-Nm663 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6824

Full Reaction Rendering

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