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EVODEX.1-P3891

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(=O)[O:8][C:9]1:[C:10]([H:19]):[C:11]([H:20]):[C:12]([N+:13](=[O:14])[O-:15]):[C:16]([H:21]):[C:17]:1[H:22]>>[H][O:8][C:9]1:[C:10]([H:19]):[C:11]([H:20]):[C:12]([N+:13](=[O:14])[O-:15]):[C:16]([H:21]):[C:17]:1[H:22]

Derived Operators

EVODEX.1-F143 - Elemental Balance

O-1
C-6
H-10

EVODEX.1-M114 - Mass Difference

-98.0732

EVODEX.1-E799 - Reaction Operator E

Reaction Operator E SMIRKS

[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#8])-[#8:8]-[#6:9])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H]>>[#8:8](-[#6:9])-[H]

EVODEX.1-C500 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N616 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:8]-[#6:9]>>[H]-[#8:8]-[#6:9]

EVODEX.1-Em10 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6]-[#6](=[#8])-[#8:20]-[#6:21]>>[H]-[#8:20]-[#6:21]

EVODEX.1-Cm8 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#8:2]>>[H]-[#8:2]

EVODEX.1-Nm9 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6]-[#6](=[#8])-[#8:20]-[#6:21]>>[H]-[#8:20]-[#6:21]

Source Full Reactions

EVODEX.1-R4749

Full Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[O:8][C:9]1:[C:10]([H:19]):[C:11]([H:20]):[C:12]([N+:13](=[O:14])[O-:15]):[C:16]([H:21]):[C:17]:1[H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:31])([H:32])[H:33].[H][O:18][H:34]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[O:18][H:34])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:31])([H:32])[H:33].[H][O:8][C:9]1:[C:10]([H:19]):[C:11]([H:20]):[C:12]([N+:13](=[O:14])[O-:15]):[C:16]([H:21]):[C:17]:1[H:22]