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EVODEX.1-P6304

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

O=[C:11]([C:10]1:[C:9]([H:23]):[N:8]([C:7]([H:29])([H:30])[H:31]):[C:18]2:[C:13]:1:[C:14]([H:25]):[C:15]([H:26]):[C:16]([H:27]):[C:17]:2[H:28])[H:24]>>[H]OC(=O)C(=O)C([H])=[C:11]([C:10]1:[C:9]([H:23]):[N:8]([C:7]([H:29])([H:30])[H:31]):[C:18]2:[C:13]:1:[C:14]([H:25]):[C:15]([H:26]):[C:16]([H:27]):[C:17]:2[H:28])[H:24]

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-R6907

Full Reaction Rendering

[H][C:1]([H])([C:2](=[O:3])[C:4](=[O:5])[O:6][H:19])[H:20].[C:7]([N:8]1:[C:9]([H:23]):[C:10]([C:11](=[O:12])[H:24]):[C:13]2:[C:14]([H:25]):[C:15]([H:26]):[C:16]([H:27]):[C:17]([H:28]):[C:18]:1:2)([H:29])([H:30])[H:31]>>[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:19])(=[C:11]([C:10]1:[C:9]([H:23]):[N:8]([C:7]([H:29])([H:30])[H:31]):[C:18]2:[C:13]:1:[C:14]([H:25]):[C:15]([H:26]):[C:16]([H:27]):[C:17]:2[H:28])[H:24])[H:20].[H][O:12][H]