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EVODEX.1-P5630

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]ON([H])[C:12]([C:11]([C:10]([C:9]([C:7]([O:6][C:5]1:[C:4]([H:20]):[C:3]([H:19]):[C:2]([C:1]([H:31])([H:32])[H:33]):[C:17]([H:30]):[C:16]:1[H:29])=[O:8])([H:27])[H:28])([H:25])[H:26])([H:23])[H:24])=[O:13]>>[H]O[C:12]([C:11]([C:10]([C:9]([C:7]([O:6][C:5]1:[C:4]([H:20]):[C:3]([H:19]):[C:2]([C:1]([H:31])([H:32])[H:33]):[C:17]([H:30]):[C:16]:1[H:29])=[O:8])([H:27])[H:28])([H:25])[H:26])([H:23])[H:24])=[O:13]

Derived Operators

EVODEX.1-F181 - Elemental Balance

N-1
H-1

EVODEX.1-M267 - Mass Difference

-15.01093

EVODEX.1-E875 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:7]-[#6:8](=[#8:9])-[#7](-[#8]-[H])-[H]>>[#6:7]-[#6:8](=[#8:9])-[#8]-[H]

EVODEX.1-C677 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N835 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#7](-[H])-[#6:8](-[#6:7])=[#8:9]>>[H]-[#8]-[#6:8](-[#6:7])=[#8:9]

EVODEX.1-Em661 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8]-[#7](-[H])-[#6:8](-[#6:7])=[#8:9]>>[H]-[#8]-[#6:8](-[#6:7])=[#8:9]

EVODEX.1-Cm4 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7]-[#6:42]>>[#8]-[#6:42]

EVODEX.1-Nm594 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8]-[#7](-[H])-[#6:8](-[#6:7])=[#8:9]>>[H]-[#8]-[#6:8](-[#6:7])=[#8:9]

Source Full Reactions

EVODEX.1-R6355

Full Reaction Rendering

[C:1]([C:2]1:[C:3]([H:19]):[C:4]([H:20]):[C:5]([O:6][C:7](=[O:8])[C:9]([C:10]([C:11]([C:12](=[O:13])[N:14]([O:15][H:21])[H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28]):[C:16]([H:29]):[C:17]:1[H:30])([H:31])([H:32])[H:33].[H][O:18][H:34]>>[C:1]([C:2]1:[C:3]([H:19]):[C:4]([H:20]):[C:5]([O:6][C:7](=[O:8])[C:9]([C:10]([C:11]([C:12](=[O:13])[O:18][H:34])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28]):[C:16]([H:29]):[C:17]:1[H:30])([H:31])([H:32])[H:33].[H][N:14]([O:15][H:21])[H:22]