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EVODEX.1-P6466

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E340 - Reaction Operator E

Reaction Operator E SMIRKS

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

EVODEX.1-C746 - Reaction Operator C

Reaction Operator C SMIRKS

[#7:1]#[#6:2]>>[H]-[#7:1](-[H])-[#6:2]=[#8]

EVODEX.1-N953 - Reaction Operator N

Reaction Operator N SMIRKS

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

EVODEX.1-Em770 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm299 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7:1]#[#6:2]>>[H]-[#7:1](-[H])-[#6:2]=[#8]

EVODEX.1-Nm691 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R7050

Full Reaction Rendering

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