EVODEX Logo

EVODEX.1-P240

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:3]([C:4]1:[C:5]([H:17]):[C:6]([H:18]):[C:7]([H:19]):[C:8]([C:9]2:[C:10]([H:20]):[C:11]([H:21]):[C:12]([H:22]):[C:13]([H:23]):[C:14]:2[H:24]):[C:15]:1[O:16][H:25])[H:26]>>O=[C:4]([O:3][H:26])[C:15](=[C:8]([C:7](=[C:6]([C:5](=O)[H:17])[H:18])[H:19])[C:9]1:[C:10]([H:20]):[C:11]([H:21]):[C:12]([H:22]):[C:13]([H:23]):[C:14]:1[H:24])[O:16][H:25]

Derived Operators

EVODEX.1-F64 - Elemental Balance

O2

EVODEX.1-M19 - Mass Difference

31.9898

EVODEX.1-E604 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]1:[#6:3]:[#6:4]:[#6:5]:[#6:7](-[H:14]):[#6:8]:1-[#8:9]>>[#6:2](=[#6:3]-[#6:4]=[#6:5]-[#6:7](=[#8])-[H:14])-[#6:8](-[#8:9])=[#8]

EVODEX.1-C49 - Reaction Operator C

Reaction Operator C SMIRKS

nan

EVODEX.1-N135 - Reaction Operator N

Reaction Operator N SMIRKS

nan

EVODEX.1-Em218 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:2]1:[#6:3]:[#6:4]:[#6:5]:[#6:7](-[#8:8]):[#6:9]:1>>[#8]=[#6:7](-[#6:5]=[#6:4]-[#6:3]=[#6:2]-[#6:9]=[#8])-[#8:8]

EVODEX.1-Cm91 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

nan

EVODEX.1-Nm217 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

nan

Source Full Reactions

EVODEX.1-R281

Full Reaction Rendering

[O:1]=[O:2].[O:3]([C:4]1:[C:5]([H:17]):[C:6]([H:18]):[C:7]([H:19]):[C:8]([C:9]2:[C:10]([H:20]):[C:11]([H:21]):[C:12]([H:22]):[C:13]([H:23]):[C:14]:2[H:24]):[C:15]:1[O:16][H:25])[H:26]>>[O:1]=[C:4]([O:3][H:26])[C:15](=[C:8]([C:7](=[C:6]([C:5](=[O:2])[H:17])[H:18])[H:19])[C:9]1:[C:10]([H:20]):[C:11]([H:21]):[C:12]([H:22]):[C:13]([H:23]):[C:14]:1[H:24])[O:16][H:25]