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EVODEX.1-P5684

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E136 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#6:3](=[#8:4])-[#8:5]-[H:14].[#7:6](-[#6:7])(-[H:27])-[H]>>[#6:2]-[#6:3](=[#8:4])-[#7:6](-[#6:7])-[H:27].[#8:5](-[H:14])-[H]

EVODEX.1-C10 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:2]-[#8:4].[H]-[#7:19]>>[#6:2]-[#7:19].[H]-[#8:4]

EVODEX.1-N14 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#8:4]-[H:22].[H]-[#7:19](-[#6:18])-[H:28]>>[#6:1]-[#6:2](=[#8:3])-[#7:19](-[#6:18])-[H:28].[H]-[#8:4]-[H:22]

EVODEX.1-Em54 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#8:4].[H]-[#7:19]-[#6:18]>>[#6:1]-[#6:2](=[#8:3])-[#7:19]-[#6:18].[H]-[#8:4]

EVODEX.1-Cm34 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:2]-[#8:4].[H]-[#7:19]>>[#6:2]-[#7:19].[H]-[#8:4]

EVODEX.1-Nm61 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#8:4].[H]-[#7:19]-[#6:18]>>[#6:1]-[#6:2](=[#8:3])-[#7:19]-[#6:18].[H]-[#8:4]

Source Full Reactions

EVODEX.1-R6398

Full Reaction Rendering

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