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EVODEX.1-P6314

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

O=[C:8]([C:9]1:[C:10]([H:18]):[C:11]([H:19]):[C:12]([H:20]):[O:13]:1)[H:21]>>[H]OC(=O)C(=O)C([H])=[C:8]([C:9]1:[C:10]([H:18]):[C:11]([H:19]):[C:12]([H:20]):[O:13]:1)[H:21]

Derived Operators

EVODEX.1-F39 - Elemental Balance

C3
O2
H2

EVODEX.1-M206 - Mass Difference

70.00546

EVODEX.1-E514 - Reaction Operator E

Reaction Operator E SMIRKS

[#8]=[#6:8](-[#6:9])-[H:36]>>[#6](-[#6](=[#8])-[#6](=[#8])-[#8]-[H])(=[#6:8](-[#6:9])-[H:36])-[H]

EVODEX.1-C735 - Reaction Operator C

Reaction Operator C SMIRKS

[#8]=[#6:14]>>[H]-[#8]-[#6](=[#8])-[#6](=[#8])-[#6](-[H])=[#6:14]

EVODEX.1-N941 - Reaction Operator N

Reaction Operator N SMIRKS

[#8]=[#6:14](-[#6:13])-[H:27]>>[H]-[#8]-[#6](=[#8])-[#6](=[#8])-[#6](-[H])=[#6:14](-[#6:13])-[H:27]

EVODEX.1-Em749 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8]=[#6:14]-[#6:13]>>[#6](=[#8])-[#6](=[#8])-[#6](-[H])=[#6:14]-[#6:13]

EVODEX.1-Cm290 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8]=[#6:14]>>[#6]=[#6:14]

EVODEX.1-Nm678 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8]=[#6:14]-[#6:13]>>[#6]-[#6](-[H])=[#6:14]-[#6:13]

Source Full Reactions

EVODEX.1-R6914

Full Reaction Rendering

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