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EVODEX.1-P6187

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-R6795

Full Reaction Rendering

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