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EVODEX.1-P6520

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E195 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4]-[#7:5](-[#6:6](-[#8:7]-[H])(-[#6:8]=[#8:9])-[H:19])-[H:20]>>[#6:4]-[#7:5](-[H:20])-[H].[#6:6](=[#8:7])(-[#6:8]=[#8:9])-[H:19]

EVODEX.1-C755 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:7]-[#6:6]-[#7:5]>>[H]-[#7:5].[#6:6]=[#8:7]

EVODEX.1-N962 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:7]-[#6:6](-[#7:5](-[#6:4])-[H:20])(-[#6:8])-[H:19]>>[H]-[#7:5](-[#6:4])-[H:20].[#6:6](=[#8:7])(-[#6:8])-[H:19]

EVODEX.1-Em780 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:7]-[#6:6](-[#7:5]-[#6:4])-[#6:8]=[#8:9]>>[H]-[#7:5]-[#6:4].[#6:6](=[#8:7])-[#6:8]=[#8:9]

EVODEX.1-Cm307 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:7]-[#6:6]-[#7:5]>>[H]-[#7:5].[#6:6]=[#8:7]

EVODEX.1-Nm701 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R7100

Full Reaction Rendering

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