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EVODEX.1-P5947

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F74 - Elemental Balance

O1
N-1
H-1

EVODEX.1-M17 - Mass Difference

0.9839699999999996

EVODEX.1-C135 - Reaction Operator C

Reaction Operator C SMIRKS

[#7]#[#6:4].[H]-[#8:6]-[H]>>[H]-[#8]-[#6:4]=[#8:6]

EVODEX.1-N56 - Reaction Operator N

Reaction Operator N SMIRKS

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

EVODEX.1-Em689 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm104 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7]#[#6:4].[H]-[#8:6]-[H]>>[#8]-[#6:4]=[#8:6]

EVODEX.1-Nm87 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6597

Full Reaction Rendering

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