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EVODEX.1-P664

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:13]=[O:14].[H][C:3](=[O:2])[C:4]1:[C:5]([H:15]):[C:6]([H:16]):[C:7]([H:17]):[C:8]([N+:9](=[O:10])[O-:11]):[C:12]:1[H:18]>>[H][O:13][O:14][H].[H]O[C:3](=[O:2])[C:4]1:[C:5]([H:15]):[C:6]([H:16]):[C:7]([H:17]):[C:8]([N+:9](=[O:10])[O-:11]):[C:12]:1[H:18]

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E364 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:5]-[#6:6](=[#8:7])-[H].[#8:15]=[#8:16]>>[#6:5]-[#6:6](=[#8:7])-[#8]-[H].[#8:15](-[#8:16]-[H])-[H]

EVODEX.1-C101 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:6].[#8:15]=[#8:16]>>[H]-[#8]-[#6:6].[H]-[#8:15]-[#8:16]-[H]

EVODEX.1-N31 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:6](-[#6:5])=[#8:7].[#8:15]=[#8:16]>>[H]-[#8]-[#6:6](-[#6:5])=[#8:7].[H]-[#8:15]-[#8:16]-[H]

EVODEX.1-Em294 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:6](-[#6:5])=[#8:7].[#8:15]=[#8:16]>>[H]-[#8]-[#6:6](-[#6:5])=[#8:7].[H]-[#8:15]-[#8:16]-[H]

EVODEX.1-Cm123 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:6].[#8:15]=[#8:16]>>[#8]-[#6:6].[H]-[#8:15]-[#8:16]-[H]

EVODEX.1-Nm102 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:6](-[#6:5])=[#8:7].[#8:15]=[#8:16]>>[H]-[#8]-[#6:6](-[#6:5])=[#8:7].[H]-[#8:15]-[#8:16]-[H]

Source Full Reactions

EVODEX.1-R618

Full Reaction Rendering

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