EVODEX Logo

EVODEX.1-P5878

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1](=[C:2]([C:3]#[N:4])[H:7])([H:8])[H:9].[H][O:5][H]>>[H]O[C:3]([C:2](=[C:1]([H:8])[H:9])[H:7])=[O:5].[H][N:4]([H])[H]

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-C137 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N58 - Reaction Operator N

Reaction Operator N SMIRKS

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

EVODEX.1-Em685 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm106 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm89 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6556

Full Reaction Rendering

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