EVODEX Logo

EVODEX.1-P234

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E285 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:1]=[#8:2].[#6:4]1:[#6:5]:[#6:6]:[#6:7](-[#8:8]):[#6:9](-[#8:10]):[#6:11]:1>>[#8:1]=[#6:7](-[#6:6]=[#6:5]-[#6:4]=[#6:11]-[#6:9](=[#8:2])-[#8:10])-[#8:8]

EVODEX.1-C74 - Reaction Operator C

Reaction Operator C SMIRKS

nan

EVODEX.1-N1074 - Reaction Operator N

Reaction Operator N SMIRKS

nan

EVODEX.1-Em212 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:14]=[#8:15].[#8:5]-[#6:6]1:[#6:7]:[#6:8]:[#6:9]:[#6:10]:[#6:12]:1-[#8:13]>>[#8:5]-[#6:6](-[#6:7]=[#6:8]-[#6:9]=[#6:10]-[#6:12](-[#8:13])=[#8:15])=[#8:14]

EVODEX.1-Cm113 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

nan

EVODEX.1-Nm725 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

nan

Source Full Reactions

EVODEX.1-R276

Full Reaction Rendering

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