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EVODEX.1-P6146

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC(=O)[C:4]([C:5]1:[C:6]([H:12]):[C:7]([H:13]):[C:8]([H:14]):[C:9]([H:15]):[C:10]:1[H:16])([H:17])[H:18]>>[H][C:4]([C:5]1:[C:6]([H:12]):[C:7]([H:13]):[C:8]([H:14]):[C:9]([H:15]):[C:10]:1[H:16])([H:17])[H:18]

Derived Operators

EVODEX.1-F52 - Elemental Balance

C-1
O-2

EVODEX.1-M28 - Mass Difference

-43.9898

EVODEX.1-E568 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:52]-[#6:53](-[#6](=[#8])-[#8]-[H])(-[H:79])-[H:80]>>[#6:52]-[#6:53](-[H:79])(-[H:80])-[H]

EVODEX.1-C17 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N110 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6](=[#8])-[#6:35](-[#6:34])(-[H:78])-[H:79]>>[H]-[#6:35](-[#6:34])(-[H:78])-[H:79]

EVODEX.1-Em173 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8]-[#6](=[#8])-[#6:35]-[#6:34]>>[H]-[#6:35]-[#6:34]

EVODEX.1-Cm30 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm186 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8]-[#6](=[#8])-[#6:35]-[#6:34]>>[H]-[#6:35]-[#6:34]

Source Full Reactions

EVODEX.1-R6747

Full Reaction Rendering

[H][O:3][C:2](=[O:1])[C:4]([C:5]1:[C:6]([H:12]):[C:7]([H:13]):[C:8]([H:14]):[C:9]([H:15]):[C:10]:1[H:16])([H:17])[H:18]>>[H][C:4]([C:5]1:[C:6]([H:12]):[C:7]([H:13]):[C:8]([H:14]):[C:9]([H:15]):[C:10]:1[H:16])([H:17])[H:18].[O:1]=[C:2]=[O:3]