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EVODEX.1-P5753

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

O=C(O[C:11]([C:12]1:[C:13]([H:22]):[C:14]([H:23]):[C:15]([H:24]):[C:16]([H:25]):[C:17]:1[H:26])([H:27])[H:28])[N:7]([C@@:6]([C:5]([C:4]([C:2]([N:1]([H:36])[H:37])=[O:3])([H:34])[H:35])([H:32])[H:33])([C:18](=[O:19])[O:20][H:30])[H:31])[H:29]>>[H]O[C:11]([C:12]1:[C:13]([H:22]):[C:14]([H:23]):[C:15]([H:24]):[C:16]([H:25]):[C:17]:1[H:26])([H:27])[H:28].[H][N:7]([C@@:6]([C:5]([C:4]([C:2]([N:1]([H:36])[H:37])=[O:3])([H:34])[H:35])([H:32])[H:33])([C:18](=[O:19])[O:20][H:30])[H:31])[H:29]

Derived Operators

EVODEX.1-F347 - Elemental Balance

O-1
C-1
H2

EVODEX.1-M150 - Mass Difference

-25.97924

EVODEX.1-E1137 - Reaction Operator E

Reaction Operator E SMIRKS

[#8]-[#6](=[#8])-[#7:6](-[#6:7])-[H:19]>>[#8]-[H].[#7:6](-[#6:7])(-[H:19])-[H]

EVODEX.1-C686 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N847 - Reaction Operator N

Reaction Operator N SMIRKS

[#8]=[#6](-[#8])-[#7:7](-[#6@@:6])-[H:29]>>[H]-[#8].[H]-[#7:7](-[#6@@:6])-[H:29]

EVODEX.1-Em128 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8]-[#6](=[#8])-[#7:6]-[#6:5]>>[H]-[#7:6]-[#6:5]

EVODEX.1-Cm1 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#7:7]>>[H]-[#7:7]

EVODEX.1-Nm162 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8]-[#6](=[#8])-[#7:6]-[#6:5]>>[H]-[#7:6]-[#6:5]

Source Full Reactions

EVODEX.1-R6452

Full Reaction Rendering

[N:1]([C:2](=[O:3])[C:4]([C:5]([C@:6]([N:7]([C:8](=[O:9])[O:10][C:11]([C:12]1:[C:13]([H:22]):[C:14]([H:23]):[C:15]([H:24]):[C:16]([H:25]):[C:17]:1[H:26])([H:27])[H:28])[H:29])([C:18](=[O:19])[O:20][H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37].[H][O:21][H:38]>>[C:8](=[O:9])=[O:10].[C:11]([C:12]1:[C:13]([H:22]):[C:14]([H:23]):[C:15]([H:24]):[C:16]([H:25]):[C:17]:1[H:26])([O:21][H:38])([H:27])[H:28].[H][N:7]([C@@:6]([C:5]([C:4]([C:2]([N:1]([H:36])[H:37])=[O:3])([H:34])[H:35])([H:32])[H:33])([C:18](=[O:19])[O:20][H:30])[H:31])[H:29]