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EVODEX.1-P5503

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]C1:C([H]):C([H]):C(C([H])([H])C(=O)[N:11]([C:12]2:[C:13]([H:28]):[C:14]([H:29]):[C:15]([H:30]):[C:16]([H:31]):[C:17]:2[N+:18](=[O:19])[O-:20])[H:32]):C([H]):C:1[H]>>[H][N:11]([C:12]1:[C:13]([H:28]):[C:14]([H:29]):[C:15]([H:30]):[C:16]([H:31]):[C:17]:1[N+:18](=[O:19])[O-:20])[H:32]

Derived Operators

EVODEX.1-F226 - Elemental Balance

O-1
C-8
H-6

EVODEX.1-M289 - Mass Difference

-118.04188

EVODEX.1-E943 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:6]-[#7:7](-[#6](=[#8])-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[H:28]>>[#6:6]-[#7:7](-[H:28])-[H]

EVODEX.1-C681 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6](=[#8])-[#7:11]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:11]

EVODEX.1-N839 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6](=[#8])-[#7:11](-[#6:12])-[H:32]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:11](-[#6:12])-[H:32]

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-R6242

Full Reaction Rendering

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