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EVODEX.1-P5747

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-R6449

Full Reaction Rendering

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