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EVODEX.1-P468

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([H:56])([H:57])[H:58])=[O:5])([H:59])[H:60])([H:61])([H:62])[H:63].O=[O:55]>>[C:1]([C:2]([O:55][C:3]([C:4]([H:56])([H:57])[H:58])=[O:5])([H:59])[H:60])([H:61])([H:62])[H:63]

Derived Operators

EVODEX.1-F12 - Elemental Balance

O-1

EVODEX.1-M9 - Mass Difference

-15.9949

EVODEX.1-E446 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:49]=[#6:50](-[#6:51](-[H:91])(-[H:92])-[#6:52])-[#6:58].[#8]=[#8:60]>>[#8:49]=[#6:50](-[#6:58])-[#8:60]-[#6:51](-[#6:52])(-[H:91])-[H:92]

EVODEX.1-C98 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:2]-[#6:4].[#8]=[#8:58]>>[#6:2]-[#8:58]-[#6@:4]

EVODEX.1-N180 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#6:4](-[#6:5])(-[H:66])-[H:67].[#8]=[#8:60]>>[#6:1]-[#6:2](=[#8:3])-[#8:60]-[#6:4](-[#6:5])(-[H:66])-[H:67]

EVODEX.1-Em262 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#6:4]-[#6:5].[#8]=[#8:60]>>[#6:1]-[#6:2](=[#8:3])-[#8:60]-[#6:4]-[#6:5]

EVODEX.1-Cm120 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:2]-[#6:4].[#8]=[#8:58]>>[#6:2]-[#8:58]-[#6:4]

EVODEX.1-Nm260 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#6:4]-[#6:5].[#8]=[#8:60]>>[#6:1]-[#6:2](=[#8:3])-[#8:60]-[#6:4]-[#6:5]

Source Full Reactions

EVODEX.1-R445

Full Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([H:56])([H:57])[H:58])=[O:5])([H:59])[H:60])([H:61])([H:62])[H:63].[HH].[H][C:53]1([H:90])[C:9]([C:7]([N:6]([H:92])[H:93])=[O:8])=[C:10]([H:64])[N:11]([C@:12]2([H:65])[O:13][C@@:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:66])[O:20][P:21](=[O:22])([O:23][H:67])[O:24][C:25]([C@@:26]3([H:68])[O:27][C@:28]([N:29]4:[C:30]([H:69]):[N:31]:[C:32]5:[C:33]([N:34]([H:70])[H:71]):[N:35]:[C:36]([H:72]):[N:37]:[C:38]:4:5)([H:73])[C@@:39]([O:40][P:41](=[O:42])([O:43][H:74])[O:44][H:75])([H:76])[C@@:45]3([O:46][H:77])[H:78])([H:79])[H:80])([H:81])[H:82])([H:83])[C@:47]([O:48][H:84])([H:85])[C@:49]2([O:50][H:86])[H:87])[C:51]([H:88])=[C:52]1[H:89].[O:54]=[O:55]>>[C:1]([C:2]([O:55][C:3]([C:4]([H:56])([H:57])[H:58])=[O:5])([H:59])[H:60])([H:61])([H:62])[H:63].[N:6]([C:7](=[O:8])[C:9]1:[C:10]([H:64]):[N+:11]([C@:12]2([H:65])[O:13][C@@:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:66])[O:20][P:21](=[O:22])([O:23][H:67])[O:24][C:25]([C@@:26]3([H:68])[O:27][C@:28]([N:29]4:[C:30]([H:69]):[N:31]:[C:32]5:[C:33]([N:34]([H:70])[H:71]):[N:35]:[C:36]([H:72]):[N:37]:[C:38]:4:5)([H:73])[C@@:39]([O:40][P:41](=[O:42])([O:43][H:74])[O:44][H:75])([H:76])[C@@:45]3([O:46][H:77])[H:78])([H:79])[H:80])([H:81])[H:82])([H:83])[C@:47]([O:48][H:84])([H:85])[C@:49]2([O:50][H:86])[H:87]):[C:51]([H:88]):[C:52]([H:89]):[C:53]:1[H:90])([H:92])[H:93].[H][O:54][H]