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EVODEX.1-P201

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-R250

Full Reaction Rendering

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