EVODEX Logo

EVODEX.1-P5831

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])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-F8 - Elemental Balance

O-1
C-8
H-14

EVODEX.1-M92 - Mass Difference

-126.10452

EVODEX.1-E335 - Reaction Operator E

Reaction Operator E SMIRKS

[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#8])-[#7:10](-[#6:11])-[H:25])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H]>>[#7:10](-[#6:11])(-[H:25])-[H]

EVODEX.1-C688 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N849 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:10](-[#6:11])-[H:25]>>[H]-[#7:10](-[#6:11])-[H:25]

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-R6521

Full Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([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:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])([H:39])[H:40].[H][O:20][H:41]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[O:20][H:41])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])([H:39])[H:40].[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]