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EVODEX.1-P5683

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C(=O)[N:10]([C:11]1:[C:12]([H:21]):[C:13]([H:22]):[C:14]([N+:15](=[O:16])[O-:17]):[C:18]([H:23]):[C:19]:1[H:24])[H:25]>>[H][N:10]([C:11]1:[C:12]([H:21]):[C:13]([H:22]):[C:14]([N+:15](=[O:16])[O-:17]):[C:18]([H:23]):[C:19]:1[H:24])[H:25]

Derived Operators

EVODEX.1-F230 - Elemental Balance

O-3
C-5
H-6

EVODEX.1-M135 - Mass Difference

-114.03168

EVODEX.1-E946 - Reaction Operator E

Reaction Operator E SMIRKS

[#8]=[#6](-[#8]-[H])-[#6](-[#6](-[#6](-[#6](=[#8])-[#7:10](-[#6@@:11])-[H:36])(-[H])-[H])(-[H])-[H])(-[H])-[H]>>[#7:10](-[#6@@:11])(-[H:36])-[H]

EVODEX.1-C701 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:10]>>[H]-[#7:10]

EVODEX.1-N866 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:10](-[#6:11])-[H:19]>>[H]-[#7:10](-[#6:11])-[H:19]

EVODEX.1-Em1 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm1 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#7:7]>>[H]-[#7:7]

EVODEX.1-Nm1 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6397

Full Reaction Rendering

[O:2]=[C:3]([O:4][H:20])[C:5]([C:6]([C:7]([C:8](=[O:9])[N:10]([C:11]1:[C:12]([H:21]):[C:13]([H:22]):[C:14]([N+:15](=[O:16])[O-:17]):[C:18]([H:23]):[C:19]:1[H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31].[H][O:1][H:32]>>[H][N:10]([C:11]1:[C:12]([H:21]):[C:13]([H:22]):[C:14]([N+:15](=[O:16])[O-:17]):[C:18]([H:23]):[C:19]:1[H:24])[H:25].[O:1]([C:8]([C:7]([C:6]([C:5]([C:3](=[O:2])[O:4][H:20])([H:30])[H:31])([H:28])[H:29])([H:26])[H:27])=[O:9])[H:32]