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EVODEX.1-P6193

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC(=O)[C:6]([C:5]1:[C:4]([H:16]):[C:3]([H:15]):[C:2]([C:1]([H:20])([H:21])[H:22]):[O:14]:1)([O:7][H:17])[C:11](=[O:12])[O:13][H:19]>>[H][C@:6]([C:5]1:[C:4]([H:16]):[C:3]([H:15]):[C:2]([C:1]([H:20])([H:21])[H:22]):[O:14]:1)([O:7][H:17])[C:11](=[O:12])[O:13][H:19]

Derived Operators

EVODEX.1-F52 - Elemental Balance

C-1
O-2

EVODEX.1-M28 - Mass Difference

-43.9898

EVODEX.1-E572 - Reaction Operator E

Reaction Operator E SMIRKS

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

EVODEX.1-C17 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8]-[#6](=[#8])-[#6:3]>>[H]-[#6:3]

EVODEX.1-N916 - Reaction Operator N

Reaction Operator N SMIRKS

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

EVODEX.1-Em725 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm30 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#6:6]>>[H]-[#6:6]

EVODEX.1-Nm654 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6800

Full Reaction Rendering

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