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EVODEX.1-P768

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-R732

Full Reaction Rendering

[H][C:9]([C:8]1:[C:5]([C:6]([O:7][H:17])([H:18])[H:19]):[C:4]([H:16]):[N:3]:[C:2]([C:1]([H:22])([H:23])[H:24]):[C:11]:1[O:12][H:21])=[O:10].[O:14]=[O:15].[H][O:13][H:25]>>[C:1]([C:2]1:[N:3]:[C:4]([H:16]):[C:5]([C:6]([O:7][H:17])([H:18])[H:19]):[C:8]([C:9](=[O:10])[O:13][H:25]):[C:11]:1[O:12][H:21])([H:22])([H:23])[H:24].[H][O:14][O:15][H]