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EVODEX.1-P6315

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC(=O)C(=O)C([H])=[C:8]([C:9]1:[C:10]([O:11][H:21]):[C:12]([H:22]):[C:13]([H:23]):[C:14]2:[C:15]([H:24]):[C:16]([H:25]):[C:17]([H:26]):[C:18]([H:27]):[C:19]:1:2)[H:28]>>O=[C:8]([C:9]1:[C:10]([O:11][H:21]):[C:12]([H:22]):[C:13]([H:23]):[C:14]2:[C:15]([H:24]):[C:16]([H:25]):[C:17]([H:26]):[C:18]([H:27]):[C:19]:1:2)[H:28]

Derived Operators

EVODEX.1-F38 - Elemental Balance

C-3
O-2
H-2

EVODEX.1-M98 - Mass Difference

-70.00546

EVODEX.1-E512 - Reaction Operator E

Reaction Operator E SMIRKS

[#8]=[#6](-[#8]-[H])-[#6](=[#8])-[#6](=[#6:8](-[#6:9])-[H:33])-[H]>>[#8]=[#6:8](-[#6:9])-[H:33]

EVODEX.1-C734 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N940 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6](=[#8])-[#6](=[#8])-[#6](-[H])=[#6:8](-[#6:7])-[H:23]>>[#8]=[#6:8](-[#6:7])-[H:23]

EVODEX.1-Em748 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6](=[#8])-[#6](=[#8])-[#6](-[H])=[#6:8]-[#6:7]>>[#8]=[#6:8]-[#6:7]

EVODEX.1-Cm289 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm677 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6]-[#6](-[H])=[#6:8]-[#6:7]>>[#8]=[#6:8]-[#6:7]

Source Full Reactions

EVODEX.1-R6915

Full Reaction Rendering

[O:2]=[C:3]([O:4][H:20])[C:5](=[O:6])[C:7](=[C:8]([C:9]1:[C:10]([O:11][H:21]):[C:12]([H:22]):[C:13]([H:23]):[C:14]2:[C:15]([H:24]):[C:16]([H:25]):[C:17]([H:26]):[C:18]([H:27]):[C:19]:1:2)[H:28])[H:29].[H][O:1][H]>>[O:1]=[C:8]([C:9]1:[C:10]([O:11][H:21]):[C:12]([H:22]):[C:13]([H:23]):[C:14]2:[C:15]([H:24]):[C:16]([H:25]):[C:17]([H:26]):[C:18]([H:27]):[C:19]:1:2)[H:28].[H][C:7]([H])([C:5]([C:3](=[O:2])[O:4][H:20])=[O:6])[H:29]