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EVODEX.1-P6191

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E227 - Reaction Operator E

Reaction Operator E SMIRKS

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

EVODEX.1-C3 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:5]-[#6:4]-[#6:6]>>[#6:4]=[#8:5].[H]-[#6:6]

EVODEX.1-N914 - Reaction Operator N

Reaction Operator N SMIRKS

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

EVODEX.1-Em723 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm26 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:5]-[#6:4]-[#6:6]>>[#6:4]=[#8:5].[H]-[#6:6]

EVODEX.1-Nm652 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6798

Full Reaction Rendering

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