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EVODEX.1-P6195

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC(=O)[C:4]([C:3](=[C:2]([C:1]([H:17])([H:18])[H:19])[H:16])[H:15])([O:5][H:12])[C:9](=[O:10])[O:11][H:14]>>[H][C:4]([C:3](=[C:2]([C:1]([H:17])([H:18])[H:19])[H:16])[H:15])([O:5][H:12])[C:9](=[O:10])[O:11][H:14]

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-R6802

Full Reaction Rendering

[H][O:8][C:6]([C:4]([C:3](=[C:2]([C:1]([H:17])([H:18])[H:19])[H:16])[H:15])([O:5][H:12])[C:9](=[O:10])[O:11][H:14])=[O:7]>>[C:6](=[O:7])=[O:8].[H][C:4]([C:3](=[C:2]([C:1]([H:17])([H:18])[H:19])[H:16])[H:15])([O:5][H:12])[C:9](=[O:10])[O:11][H:14]