EVODEX Logo

EVODEX.1-P5885

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F74 - Elemental Balance

O1
N-1
H-1

EVODEX.1-M17 - Mass Difference

0.9839699999999996

EVODEX.1-E641 - Reaction Operator E

Reaction Operator E SMIRKS

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

EVODEX.1-C712 - Reaction Operator C

Reaction Operator C SMIRKS

[#7]#[#6:2]-[#6:3].[H]-[#8:12]-[H]>>[H]-[#8]-[#6:2](-[#6@:3])=[#8:12]

EVODEX.1-N877 - Reaction Operator N

Reaction Operator N SMIRKS

[#7]#[#6:2]-[#6:3](-[#8:4])(-[#6:5])-[H:19].[H]-[#8:12]-[H]>>[H]-[#8]-[#6:2](-[#6@:3](-[#8:4])(-[#6:5])-[H:19])=[#8:12]

EVODEX.1-Em131 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#7]#[#6:2]-[#6:3].[H]-[#8:12]-[H]>>[H]-[#8]-[#6:2](-[#6:3])=[#8:12]

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-R6561

Full Reaction Rendering

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