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EVODEX.1-P6179

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC(=O)[C:8]([C:7]1:[C:6]([H:16]):[C:5]([H:15]):[C:4]([H:14]):[C:3]([O:2][C:1]([H:19])([H:20])[H:21]):[C:13]:1[H:18])=[O:9]>>[H][C:8]([C:7]1:[C:6]([H:16]):[C:5]([H:15]):[C:4]([H:14]):[C:3]([O:2][C:1]([H:19])([H:20])[H:21]):[C:13]:1[H:18])=[O:9]

Derived Operators

EVODEX.1-F52 - Elemental Balance

C-1
O-2

EVODEX.1-M28 - Mass Difference

-43.9898

EVODEX.1-E570 - Reaction Operator E

Reaction Operator E SMIRKS

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

EVODEX.1-C17 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N907 - Reaction Operator N

Reaction Operator N SMIRKS

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

EVODEX.1-Em716 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm30 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm645 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6786

Full Reaction Rendering

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