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EVODEX.1-P1054

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:1]([H:17])[H:18].O=[C:3]([C:4]([C:5]1:[C:6]([H:20]):[N:7]([H:21]):[C:8]2:[C:9]([H:22]):[C:10]([H:23]):[C:11]([O:12][H:24]):[C:13]([H:25]):[C:14]:1:2)([H:26])[H:27])[H:28]>>[H][C:3]([N:1]([H:17])[H:18])([C:4]([C:5]1:[C:6]([H:20]):[N:7]([H:21]):[C:8]2:[C:9]([H:22]):[C:10]([H:23]):[C:11]([O:12][H:24]):[C:13]([H:25]):[C:14]:1:2)([H:26])[H:27])[H:28]

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-R1008

Full Reaction Rendering

[H][N:1]([H:17])[H:18].[O:2]=[C:3]([C:4]([C:5]1:[C:6]([H:20]):[N:7]([H:21]):[C:8]2:[C:9]([H:22]):[C:10]([H:23]):[C:11]([O:12][H:24]):[C:13]([H:25]):[C:14]:1:2)([H:26])[H:27])[H:28].[H][O:15][O:16][H]>>[H][C:3]([N:1]([H:17])[H:18])([C:4]([C:5]1:[C:6]([H:20]):[N:7]([H:21]):[C:8]2:[C:9]([H:22]):[C:10]([H:23]):[C:11]([O:12][H:24]):[C:13]([H:25]):[C:14]:1:2)([H:26])[H:27])[H:28].[O:15]=[O:16].[H][O:2][H]