EVODEX.1-P143

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:8]([C:7](=[C:6]([C:5]1:[C:4]([H:16]):[C:3]([O:2][C:1]([H:25])([H:26])[H:27]):[C:12]([O:13][H:24]):[C:11]([H:23]):[C:10]:1[H:22])[H:21])[H:20])([O:9][H])[H:18].[O:14]=[O:15]>>[C:1]([O:2][C:3]1:[C:4]([H:16]):[C:5]([C:6](=[C:7]([C:8](=[O:9])[H:18])[H:20])[H:21]):[C:10]([H:22]):[C:11]([H:23]):[C:12]:1[O:13][H:24])([H:25])([H:26])[H:27].[H][O:14][O:15][H]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-C40 - Reaction Operator C

Reaction Operator C SMIRKS

[#8:1]=[#8:2].[H]-[#8:3]-[#6:4]-[H]>>[#8:3]=[#6:4].[H]-[#8:1]-[#8:2]-[H]

EVODEX.1-N81 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:1]=[#8:2].[H]-[#8:3]-[#6:4](-[H])(-[#6:5])-[H:21]>>[#8:3]=[#6:4](-[#6:5])-[H:21].[H]-[#8:1]-[#8:2]-[H]

EVODEX.1-Em179 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm63 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8:1]=[#8:2].[H]-[#8:3]-[#6:4]-[H]>>[#8:3]=[#6:4].[H]-[#8:1]-[#8:2]-[H]

EVODEX.1-Nm94 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R185

Full Reaction Rendering

[H][C:8]([C:7](=[C:6]([C:5]1:[C:4]([H:16]):[C:3]([O:2][C:1]([H:25])([H:26])[H:27]):[C:12]([O:13][H:24]):[C:11]([H:23]):[C:10]:1[H:22])[H:21])[H:20])([O:9][H])[H:18].[O:14]=[O:15]>>[C:1]([O:2][C:3]1:[C:4]([H:16]):[C:5]([C:6](=[C:7]([C:8](=[O:9])[H:18])[H:20])[H:21]):[C:10]([H:22]):[C:11]([H:23]):[C:12]:1[O:13][H:24])([H:25])([H:26])[H:27].[H][O:14][O:15][H]