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EVODEX.1-P5613

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C(=O)[N:6]([C:7]1:[C:8]([H:20]):[C:9]([H:21]):[C:10]([N+:11](=[O:12])[O-:13]):[C:14]([H:22]):[C:15]:1[H:23])[H:24]>>[H][N:6]([C:7]1:[C:8]([H:20]):[C:9]([H:21]):[C:10]([N+:11](=[O:12])[O-:13]):[C:14]([H:22]):[C:15]:1[H:23])[H:24]

Derived Operators

EVODEX.1-F220 - Elemental Balance

O-3
C-4
N-1
H-5

EVODEX.1-M72 - Mass Difference

-115.02695

EVODEX.1-E930 - Reaction Operator E

Reaction Operator E SMIRKS

[#7](-[#6@@](-[#6](-[#6](=[#8])-[#7:6](-[#6@:7])-[H:33])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H]>>[#7:6](-[#6@:7])(-[H:33])-[H]

EVODEX.1-C626 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N781 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:6](-[#6@:7])-[H:33]>>[H]-[#7:6](-[#6@:7])-[H:33]

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-R6344

Full Reaction Rendering

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