EVODEX Logo

EVODEX.1-P5660

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]N(C([H])([H])[H])[C:3]([C:2]([C:1]([H:14])([H:15])[H:16])([H:12])[H:13])=[O:4].[H][O:7][H:17]>>[C:1]([C:2]([C:3](=[O:4])[O:7][H:17])([H:12])[H:13])([H:14])([H:15])[H:16]

Derived Operators

EVODEX.1-F248 - Elemental Balance

C-1
N-1
H-5

EVODEX.1-M303 - Mass Difference

-31.04225

EVODEX.1-E972 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#6:3](=[#8:4])-[#7](-[#6](-[H])(-[H])-[H])-[H].[#8:7](-[H:17])-[H]>>[#6:2]-[#6:3](=[#8:4])-[#8:7]-[H:17]

EVODEX.1-C620 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N775 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7](-[#6](-[H])(-[H])-[H])-[#6:3](-[#6:2])=[#8:4].[H]-[#8:7]-[H:17]>>[#6:2]-[#6:3](=[#8:4])-[#8:7]-[H:17]

EVODEX.1-Em2 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]

EVODEX.1-Cm3 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7]-[#6:4].[H]-[#8:13]>>[#6:4]-[#8:13]

EVODEX.1-Nm2 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]

Source Full Reactions

EVODEX.1-R6378

Full Reaction Rendering

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