EVODEX Logo

EVODEX.1-P1032

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

O=[C:2]([C:1]([H:8])([H:9])[H:10])[H:7].[H][N:4]([H:11])[H:12]>>[H][C:2]([C:1]([H:8])([H:9])[H:10])([N:4]([H:11])[H:12])[H:7]

Derived Operators

EVODEX.1-F12 - Elemental Balance

O-1

EVODEX.1-M9 - Mass Difference

-15.9949

EVODEX.1-E435 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:18]-[#6:19](=[#8])-[H:31].[#7:23](-[H:42])(-[H:43])-[H]>>[#6:18]-[#6:19](-[#7:23](-[H:42])-[H:43])(-[H:31])-[H]

EVODEX.1-C26 - Reaction Operator C

Reaction Operator C SMIRKS

[#8]=[#6:3].[H]-[#7:10]>>[H]-[#6:3]-[#7:10]

EVODEX.1-N250 - Reaction Operator N

Reaction Operator N SMIRKS

[#8]=[#6:19](-[#6:18])-[H:31].[H]-[#7:23](-[H:42])-[H:43]>>[H]-[#6:19](-[#6:18])(-[#7:23](-[H:42])-[H:43])-[H:31]

EVODEX.1-Em372 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8]=[#6:19]-[#6:18].[H]-[#7:23]>>[H]-[#6:19](-[#6:18])-[#7:23]

EVODEX.1-Cm65 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8]=[#6:3].[H]-[#7:10]>>[H]-[#6:3]-[#7:10]

EVODEX.1-Nm332 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8]=[#6:19]-[#6:18].[H]-[#7:23]>>[H]-[#6:19](-[#6:18])-[#7:23]

Source Full Reactions

EVODEX.1-R994

Full Reaction Rendering

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