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EVODEX.1-P5944

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

N#[C:6][C:5](=[C:4]([O:3][C:2]([C:1]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11])[H:10].[H][O:8][H]>>[H]O[C:6]([C:5](=[C:4]([O:3][C:2]([C:1]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11])[H:10])=[O:8]

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-R6596

Full Reaction Rendering

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