EVODEX Logo

EVODEX.1-P4648

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E345 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:6]-[#6:7](-[#7:8](-[H:11])-[H:12])=[#8:9]>>[#6:6]-[#6:7](=[#8:9])-[#8]-[H].[#7:8](-[H:11])(-[H:12])-[H]

EVODEX.1-C23 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N645 - Reaction Operator N

Reaction Operator N SMIRKS

[#7:1](-[#6:2](=[#8:3])-[#6:4])(-[H:9])-[H:10]>>[H]-[#8]-[#6:2](=[#8:3])-[#6:4].[H]-[#7:1](-[H:9])-[H:10]

EVODEX.1-Em609 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#7:1]-[#6:2](=[#8:3])-[#6:4]>>[H]-[#8]-[#6:2](=[#8:3])-[#6:4].[H]-[#7:1]

EVODEX.1-Cm18 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm544 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#7:1]-[#6:2](=[#8:3])-[#6:4]>>[H]-[#8]-[#6:2](=[#8:3])-[#6:4].[H]-[#7:1]

Source Full Reactions

EVODEX.1-R5469

Full Reaction Rendering

[N:1]([C:2](=[O:3])[C@@:4]([N:5]([H:9])[H:10])([C:6]([O:7][H:11])([H:12])[H:13])[H:14])([H:15])[H:16].[H][O:8][H:17]>>[C:2](=[O:3])([C@@:4]([N:5]([H:9])[H:10])([C:6]([O:7][H:11])([H:12])[H:13])[H:14])[O:8][H:17].[H][N:1]([H:15])[H:16]