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EVODEX.1-P5957

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([O:4][H:9])([C:5]#[N:6])[H:10])([H:11])[H:12])([H:13])([H:14])[H:15]>>[H]O[C:5](=O)[C@:3]([C:2]([C:1]([H:13])([H:14])[H:15])([H:11])[H:12])([O:4][H:9])[H:10].[H][N:6]([H])[H]

Derived Operators

EVODEX.1-F180 - Elemental Balance

O2
H4

EVODEX.1-M21 - Mass Difference

36.021119999999996

EVODEX.1-E872 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#6:3](-[#8:4])(-[#6:5]#[#7:6])-[H:10]>>[#6:2]-[#6@:3](-[#8:4])(-[#6:5](=[#8])-[#8]-[H])-[H:10].[#7:6](-[H])(-[H])-[H]

EVODEX.1-C713 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N878 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:2]-[#6:3](-[#8:4])(-[#6:5]#[#7:6])-[H:10]>>[H]-[#8]-[#6:5](=[#8])-[#6@:3](-[#6:2])(-[#8:4])-[H:10].[H]-[#7:6](-[H])-[H]

EVODEX.1-Em132 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm105 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm88 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6602

Full Reaction Rendering

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