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EVODEX.1-P5667

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]O[C:3](=[O:2])[C:5]([C:6]1:[C:7]([H:19]):[C:8]([H:20]):[C:9]([N+:10](=[O:11])[O-:12]):[C:13]([H:21]):[C:14]:1[H:22])([H:23])[H:24]>>[H]N([H])[C:3](=[O:2])[C:5]([C:6]1:[C:7]([H:19]):[C:8]([H:20]):[C:9]([N+:10](=[O:11])[O-:12]):[C:13]([H:21]):[C:14]:1[H:22])([H:23])[H:24]

Derived Operators

EVODEX.1-F251 - Elemental Balance

O-1
N1
H1

EVODEX.1-M76 - Mass Difference

-0.9839699999999996

EVODEX.1-E975 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:33]=[#6:34](-[#8]-[H])-[#6:36]>>[#7](-[#6:34](=[#8:33])-[#6:36])(-[H])-[H]

EVODEX.1-C653 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8]-[#6:3]>>[H]-[#7](-[H])-[#6:3]

EVODEX.1-N809 - Reaction Operator N

Reaction Operator N SMIRKS

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

EVODEX.1-Em656 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm17 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8]-[#6:42]>>[#7]-[#6:42]

EVODEX.1-Nm589 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6384

Full Reaction Rendering

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