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EVODEX.1-P205

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2](=[C:3]([C:4]([H:7])([H:8])[H:9])[H:10])[H:11])([H:12])([H:13])[H:14]>>O1[C:2]([C:1]([H:12])([H:13])[H:14])([H:11])[C:3]1([C:4]([H:7])([H:8])[H:9])[H:10]

Derived Operators

EVODEX.1-F10 - Elemental Balance

O1

EVODEX.1-M6 - Mass Difference

15.9949

EVODEX.1-E418 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](=[#6:3](-[#6:4])-[H:123])-[H:124]>>[#6:1]-[#6:2]1(-[H:124])-[#6:3](-[#6:4])(-[H:123])-[#8]-1

EVODEX.1-C92 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:27]=[#6:28]>>[#8]1-[#6@:27]-[#6:28]-1

EVODEX.1-N126 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#6:2](=[#6:3](-[#6:4])-[H:123])-[H:124]>>[#8]1-[#6:2](-[#6:1])(-[H:124])-[#6:3]-1(-[#6:4])-[H:123]

EVODEX.1-Em208 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm118 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:27]=[#6:28]>>[#8]1-[#6:27]-[#6:28]-1

EVODEX.1-Nm208 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R253

Full Reaction Rendering

[C:1]([C:2](=[C:3]([C:4]([H:7])([H:8])[H:9])[H:10])[H:11])([H:12])([H:13])[H:14].[H][O:5][O:6][H:15]>>[C:1]([C:2]1([H:11])[C:3]([C:4]([H:7])([H:8])[H:9])([H:10])[O:5]1)([H:12])([H:13])[H:14].[H][O:6][H:15]

EVODEX.1-R452

Full Reaction Rendering

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