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EVODEX.1-P415

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:1]([C:2]1:[C:3]([H:23]):[N:4]([H:24]):[C:5](=[O:6]):[N:7]([C:8]([H:25])([H:26])[H:27]):[C:9]:1=[O:10])([H:28])[H:29].[H]OC(=O)C([H])([H])C([H])([H])C(=O)[C:18](=[O:19])[O:20][H]>>[C:18](=[O:19])=[O:20].[H]O[C:1]([C:2]1:[C:3]([H:23]):[N:4]([H:24]):[C:5](=[O:6]):[N:7]([C:8]([H:25])([H:26])[H:27]):[C:9]:1=[O:10])([H:28])[H:29]

Derived Operators

EVODEX.1-F135 - Elemental Balance

O-2
C-4
H-6

EVODEX.1-M66 - Mass Difference

-86.03678000000001

EVODEX.1-E784 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4](-[#6@:3])(-[H:22])(-[H:23])-[H].[#8]=[#6](-[#8]-[H])-[#6](-[#6](-[#6](=[#8])-[#6:17](=[#8:18])-[#8:19]-[H])(-[H])-[H])(-[H])-[H]>>[#6:17](=[#8:18])=[#8:19].[#6:4](-[#6@:3])(-[#8]-[H])(-[H:22])-[H:23]

EVODEX.1-C51 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:1].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#6:19]-[#8:21]-[H]>>[#6:19]=[#8:21].[H]-[#8]-[#6:1]

EVODEX.1-N172 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:1](-[#6:2])(-[H:27])-[H:28].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#6:19](=[#8:20])-[#8:21]-[H]>>[#6:19](=[#8:20])=[#8:21].[H]-[#8]-[#6:1](-[#6:2])(-[H:27])-[H:28]

EVODEX.1-Em254 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:1]-[#6:2].[#6]-[#6](=[#8])-[#6:19](=[#8:20])-[#8:21]-[H]>>[#6:19](=[#8:20])=[#8:21].[H]-[#8]-[#6:1]-[#6:2]

EVODEX.1-Cm53 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:1].[#6]-[#6:19]-[#8:21]-[H]>>[#6:19]=[#8:21].[#8]-[#6:1]

EVODEX.1-Nm252 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:1]-[#6:2].[#6]-[#6](=[#8])-[#6:19](=[#8:20])-[#8:21]-[H]>>[#6:19](=[#8:20])=[#8:21].[H]-[#8]-[#6:1]-[#6:2]

Source Full Reactions

EVODEX.1-R405

Full Reaction Rendering

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