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EVODEX.1-P3889

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:22][C:21]1:[C:20]([H:50]):[C:19]([H:49]):[C:18]([N+:16](=[O:15])[O-:17]):[C:24]([H:53]):[C:23]:1[H:52]>>[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)[O:22][C:21]1:[C:20]([H:50]):[C:19]([H:49]):[C:18]([N+:16](=[O:15])[O-:17]):[C:24]([H:53]):[C:23]:1[H:52]

Derived Operators

EVODEX.1-F132 - Elemental Balance

O1
C12
H22

EVODEX.1-M556 - Mass Difference

182.16716

EVODEX.1-E460 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:25]-[#8:26]-[H]>>[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#8])-[#8:26]-[#6:25])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H]

EVODEX.1-C329 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:22]>>[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:22]

EVODEX.1-N382 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:22]-[#6:21]>>[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:22]-[#6:21]

EVODEX.1-Em8 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:28]-[#6:27]>>[#6]-[#6](=[#8])-[#8:28]-[#6:27]

EVODEX.1-Cm7 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:28]>>[#6]-[#8:28]

EVODEX.1-Nm5 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:28]-[#6:27]>>[#6]-[#6](=[#8])-[#8:28]-[#6:27]

Source Full Reactions

EVODEX.1-R4747

Full Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12](=[O:13])[O:14][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:41])([H:42])[H:43])([H:44])[H:45])([H:46])([H:47])[H:48].[H][O:22][C:21]1:[C:20]([H:50]):[C:19]([H:49]):[C:18]([N+:16](=[O:15])[O-:17]):[C:24]([H:53]):[C:23]:1[H:52]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12](=[O:13])[O:22][C:21]1:[C:20]([H:50]):[C:19]([H:49]):[C:18]([N+:16](=[O:15])[O-:17]):[C:24]([H:53]):[C:23]:1[H:52])([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:41])([H:42])[H:43])([H:44])[H:45])([H:46])([H:47])[H:48].[H][O:14][H:25]