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EVODEX.1-P6306

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC(=O)C(=O)C([H])=[C:5]([C:4]1:[C:3]([H:19]):[N:2]([C:1]([H:27])([H:28])[H:29]):[C:17]2:[C:12]:1:[C:13]([H:23]):[C:14]([H:24]):[C:15]([H:25]):[C:16]:2[H:26])[H:22]>>O=[C:5]([C:4]1:[C:3]([H:19]):[N:2]([C:1]([H:27])([H:28])[H:29]):[C:17]2:[C:12]:1:[C:13]([H:23]):[C:14]([H:24]):[C:15]([H:25]):[C:16]:2[H:26])[H:22]

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-R6908

Full Reaction Rendering

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