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EVODEX.1-P297

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C@:2]([N:1]([H:25])[H:26])([C:3]([C:4]1:[C:5]([H:16]):[C:6]([H:17]):[C:7]([O:8][H:18]):[C:9]([H:19]):[C:10]:1[H:20])([H:21])[H:22])[C:11](=[O:12])[O:13][H]>>[C:11](=[O:12])=[O:13].O=[C:2]([N:1]([H:25])[H:26])[C:3]([C:4]1:[C:5]([H:16]):[C:6]([H:17]):[C:7]([O:8][H:18]):[C:9]([H:19]):[C:10]:1[H:20])([H:21])[H:22]

Derived Operators

EVODEX.1-F11 - Elemental Balance

O1
H-2

EVODEX.1-M29 - Mass Difference

13.97924

EVODEX.1-E427 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:2]-[#6:3](-[#6:4])(-[#6:11](=[#8:12])-[#8:13]-[H])-[H]>>[#6:11](=[#8:12])=[#8:13].[#7:2]-[#6:3](-[#6:4])=[#8]

EVODEX.1-C203 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6@:2]-[#6:11]-[#8:13]-[H]>>[#6:11]=[#8:13].[#8]=[#6:2]

EVODEX.1-N140 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6@:2](-[#7:1])(-[#6:3])-[#6:11](=[#8:12])-[#8:13]-[H]>>[#6:11](=[#8:12])=[#8:13].[#8]=[#6:2](-[#7:1])-[#6:3]

EVODEX.1-Em223 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:11](=[#8:12])-[#8:13]-[H]>>[#6:11](=[#8:12])=[#8:13].[#8]=[#6:2](-[#7:1])-[#6:3]

EVODEX.1-Cm48 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#6:14]-[#8:15]-[H]>>[#6:14]=[#8:15]

EVODEX.1-Nm222 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:11](=[#8:12])-[#8:13]-[H]>>[#6:11](=[#8:12])=[#8:13].[#8]=[#6:2](-[#7:1])-[#6:3]

Source Full Reactions

EVODEX.1-R321

Full Reaction Rendering

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