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EVODEX.1-P122

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F11 - Elemental Balance

O1
H-2

EVODEX.1-M29 - Mass Difference

13.97924

EVODEX.1-E426 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:90]-[#6:91](-[#6@@:92])(-[H])-[H]>>[#8]=[#6:91](-[#8:90])-[#6@@:92]

EVODEX.1-C193 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:16]-[H]>>[#8]=[#6:16]

EVODEX.1-N107 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:16](-[H])(-[#6@:15])-[#8:17]>>[#8]=[#6:16](-[#6@:15])-[#8:17]

EVODEX.1-Em168 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:16](-[H])(-[#6:15])-[#8:17]>>[#8]=[#6:16](-[#6:15])-[#8:17]

EVODEX.1-Cm175 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:16]-[H]>>[#8]=[#6:16]

EVODEX.1-Nm183 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:16](-[H])(-[#6:15])-[#8:17]>>[#8]=[#6:16](-[#6:15])-[#8:17]

Source Full Reactions

EVODEX.1-R161

Full Reaction Rendering

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