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EVODEX.1-P399

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:14]([O:13][C:12]1:[C:11]([H:42]):[C:10]([H:41]):[C:9]2:[C:16]3:[C:15]:1[O:23][C@@:22]1([H:53])[C:3]([O:2][C:1]([H:54])([H:55])[H:56])=[C:4]([H:36])[C:5]([H:37])=[C:6]4[C@@:7]([H:38])([C:8]2([H:39])[H:40])[N:20]([C:21]([H:50])([H:51])[H:52])[C:19]([H:48])([H:49])[C:18]([H:46])([H:47])[C@:17]431)([H:43])[H:44].O=[O:35]>>[C:14](=[O:35])([H:43])[H:44].[H][O:13][C:12]1:[C:11]([H:42]):[C:10]([H:41]):[C:9]2:[C:16]3:[C:15]:1[O:23][C@@:22]1([H:53])[C:3]([O:2][C:1]([H:54])([H:55])[H:56])=[C:4]([H:36])[C:5]([H:37])=[C:6]4[C@@:7]([H:38])([C:8]2([H:39])[H:40])[N:20]([C:21]([H:50])([H:51])[H:52])[C:19]([H:48])([H:49])[C:18]([H:46])([H:47])[C@:17]431

Derived Operators

EVODEX.1-F12 - Elemental Balance

O-1

EVODEX.1-M9 - Mass Difference

-15.9949

EVODEX.1-E441 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1](-[#8:2]-[#6:3])(-[H:72])(-[H:73])-[H].[#8]=[#8:60]>>[#6:1](=[#8:60])(-[H:72])-[H:73].[#8:2](-[#6:3])-[H]

EVODEX.1-C73 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:1]-[#8:2].[#8:59]=[#8:60]>>[#6:1]=[#8:60].[H]-[#8:59]-[H].[H]-[#8:2]

EVODEX.1-N175 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:1](-[#8:2]-[#6:3])(-[H:65])-[H:66].[#8]=[#8:60]>>[#6:1](=[#8:60])(-[H:65])-[H:66].[H]-[#8:2]-[#6:3]

EVODEX.1-Em257 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:1]-[#8:2]-[#6:3].[#8]=[#8:60]>>[#6:1]=[#8:60].[H]-[#8:2]-[#6:3]

EVODEX.1-Cm90 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:1]-[#8:2].[#8:59]=[#8:60]>>[#6:1]=[#8:60].[H]-[#8:59]-[H].[H]-[#8:2]

EVODEX.1-Nm255 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:1]-[#8:2]-[#6:3].[#8]=[#8:60]>>[#6:1]=[#8:60].[H]-[#8:2]-[#6:3]

Source Full Reactions

EVODEX.1-R393

Full Reaction Rendering

[H][C:14]([O:13][C:12]1:[C:11]([H:42]):[C:10]([H:41]):[C:9]2:[C:16]3:[C:15]:1[O:23][C@@:22]1([H:53])[C:3]([O:2][C:1]([H:54])([H:55])[H:56])=[C:4]([H:36])[C:5]([H:37])=[C:6]4[C@@:7]([H:38])([C:8]2([H:39])[H:40])[N:20]([C:21]([H:50])([H:51])[H:52])[C:19]([H:48])([H:49])[C:18]([H:46])([H:47])[C@:17]431)([H:43])[H:44].[H][O:33][C:31]([C:29]([C:28]([C:27]([C:25](=[O:24])[O:26][H:57])([H:61])[H:62])([H:59])[H:60])=[O:30])=[O:32].[O:34]=[O:35]>>[C:31](=[O:32])=[O:33].[C:14](=[O:35])([H:43])[H:44].[H][O:13][C:12]1:[C:11]([H:42]):[C:10]([H:41]):[C:9]2:[C:16]3:[C:15]:1[O:23][C@@:22]1([H:53])[C:3]([O:2][C:1]([H:54])([H:55])[H:56])=[C:4]([H:36])[C:5]([H:37])=[C:6]4[C@@:7]([H:38])([C:8]2([H:39])[H:40])[N:20]([C:21]([H:50])([H:51])[H:52])[C:19]([H:48])([H:49])[C:18]([H:46])([H:47])[C@:17]431.[H][O:34][C:29]([C:28]([C:27]([C:25](=[O:24])[O:26][H:57])([H:61])[H:62])([H:59])[H:60])=[O:30]