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EVODEX.1-P206

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F33 - Elemental Balance

O-1
H-2

EVODEX.1-M4 - Mass Difference

-18.010559999999998

EVODEX.1-E445 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](=[#6:3](-[#6:4])-[H:123])-[H:124].[#8]=[#8:79]>>[#6:1]-[#6:2]1(-[H:124])-[#6:3](-[#6:4])(-[H:123])-[#8:79]-1

EVODEX.1-C91 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:19]=[#6:20].[#8]=[#8:69]>>[#8:69]1-[#6@@:19]-[#6@@:20]-1

EVODEX.1-N123 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:2]-[#6:3](=[#6:4](-[#6:5])-[H:55])-[H:56].[#8]=[#8:52]>>[#6:2]-[#6@:3]1(-[H:56])-[#6@@:4](-[#6:5])(-[H:55])-[#8:52]-1

EVODEX.1-Em204 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:2]-[#6:3]=[#6:4]-[#6:5].[#8]=[#8:52]>>[#6:2]-[#6:3]1-[#6:4](-[#6:5])-[#8:52]-1

EVODEX.1-Cm117 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:19]=[#6:20].[#8]=[#8:69]>>[#6:19]1-[#6:20]-[#8:69]-1

EVODEX.1-Nm204 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:2]-[#6:3]=[#6:4]-[#6:5].[#8]=[#8:52]>>[#6:2]-[#6:3]1-[#6:4](-[#6:5])-[#8:52]-1

Source Full Reactions

EVODEX.1-R254

Full Reaction Rendering

[C:1]1([H:13])=[C:2]([H:14])[C:3]2:[C:4]([H:15]):[C:5]([H:16]):[C:6]([H:17]):[C:7]([H:18]):[C:8]:2[C:9]([H:19])([H:20])[C:10]1([H:21])[H:22].[H][O:11][O:12][H:23]>>[C:1]12([H:13])[C:2]([H:14])([C:3]3:[C:4]([H:15]):[C:5]([H:16]):[C:6]([H:17]):[C:7]([H:18]):[C:8]:3[C:9]([H:19])([H:20])[C:10]1([H:21])[H:22])[O:11]2.[H][O:12][H:23]