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EVODEX.1-P855

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:5]([C:4]([C:2](=[O:1])[O:3][H:16])([H:24])[H:25])([C@:6]1([H])[N:7]([H:18])[C:8](=[O:9])[C:10]([H:19])([H:20])[N:11]([H:21])[C:12]1=[O:13])[H:22]>>[O:1]=[C:2]([O:3][H:16])[C:4]([C:5](=[C:6]1[N:7]([H:18])[C:8](=[O:9])[C:10]([H:19])([H:20])[N:11]([H:21])[C:12]1=[O:13])[H:22])([H:24])[H:25]

Derived Operators

EVODEX.1-F4 - Elemental Balance

H-2

EVODEX.1-M5 - Mass Difference

-2.01566

EVODEX.1-E56 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:5](=[#8:6])-[#6@@:7](-[#6:8](-[#6:9])(-[H:26])-[H])(-[H])-[#7:15]>>[#6:5](=[#8:6])-[#6:7](=[#6:8](-[#6:9])-[H:26])-[#7:15]

EVODEX.1-C34 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:5]-[#6@:6]-[H]>>[#6:5]=[#6:6]

EVODEX.1-N1081 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:5](-[#6:4])(-[#6@:6](-[H])(-[#7:7])-[#6:12])-[H:22]>>[#6:4]-[#6:5](=[#6:6](-[#7:7])-[#6:12])-[H:22]

EVODEX.1-Em322 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:5](-[#6:4])-[#6:6](-[H])(-[#7:7])-[#6:12]=[#8:13]>>[#6:4]-[#6:5]=[#6:6](-[#7:7])-[#6:12]=[#8:13]

EVODEX.1-Cm61 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:5]-[#6:6]-[H]>>[#6:5]=[#6:6]

EVODEX.1-Nm726 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:5](-[#6:4])-[#6:6](-[H])(-[#7:7])-[#6:12]>>[#6:4]-[#6:5]=[#6:6](-[#7:7])-[#6:12]

Source Full Reactions

EVODEX.1-R822

Full Reaction Rendering

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