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EVODEX.1-P807

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:4]([C:3]([C:2]([C:1]([H:61])([H:62])[H:63])([H:59])[H:60])([H:57])[H:58])([O:5][H:52])[C:6]([H])([O:7][H:53])[H:54]>>[C:1]([C:2]([C:3]([C:4]([O:5][H:52])=[C:6]([O:7][H:53])[H:54])([H:57])[H:58])([H:59])[H:60])([H:61])([H:62])[H:63]

Derived Operators

EVODEX.1-F4 - Elemental Balance

H-2

EVODEX.1-M5 - Mass Difference

-2.01566

EVODEX.1-E55 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:5]-[#6:6](-[#8:7])(-[#6:8](-[#8:9])(-[H:62])-[H])-[H]>>[#6:5]-[#6:6](-[#8:7])=[#6:8](-[#8:9])-[H:62]

EVODEX.1-C34 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N109 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:6](-[#6:5])(-[#8:7])-[#6:8](-[H])(-[#8:9])-[H:62]>>[#6:5]-[#6:6](-[#8:7])=[#6:8](-[#8:9])-[H:62]

EVODEX.1-Em171 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm61 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm185 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R769

Full Reaction Rendering

[H][C:4]([C:3]([C:2]([C:1]([H:61])([H:62])[H:63])([H:59])[H:60])([H:57])[H:58])([O:5][H:52])[C:6]([H])([O:7][H:53])[H:54].[N:8]([C:9](=[O:10])[C:11]1:[C:12]([H:64]):[C:13]([H:65]):[C:14]([H:66]):[N+:15]([C@:16]2([H:67])[O:17][C@@:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:68])[O:24][P:25](=[O:26])([O:27][H:69])[O:28][C:29]([C@@:30]3([H:70])[O:31][C@:32]([N:33]4:[C:34]([H:71]):[N:35]:[C:36]5:[C:37]([N:38]([H:72])[H:73]):[N:39]:[C:40]([H:74]):[N:41]:[C:42]:4:5)([H:75])[C@@:43]([O:44][H:76])([H:77])[C@@:45]3([O:46][H:78])[H:79])([H:80])[H:81])([H:82])[H:83])([H:84])[C@:47]([O:48][H:85])([H:86])[C@:49]2([O:50][H:87])[H:88]):[C:51]:1[H:89])([H:90])[H:91]>>[C:1]([C:2]([C:3]([C:4]([O:5][H:52])=[C:6]([O:7][H:53])[H:54])([H:57])[H:58])([H:59])[H:60])([H:61])([H:62])[H:63].[HH].[H][C:12]1([H:64])[C:11]([C:9]([N:8]([H:90])[H:91])=[O:10])=[C:51]([H:89])[N:15]([C@:16]2([H:67])[O:17][C@@:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:68])[O:24][P:25](=[O:26])([O:27][H:69])[O:28][C:29]([C@@:30]3([H:70])[O:31][C@:32]([N:33]4:[C:34]([H:71]):[N:35]:[C:36]5:[C:37]([N:38]([H:72])[H:73]):[N:39]:[C:40]([H:74]):[N:41]:[C:42]:4:5)([H:75])[C@@:43]([O:44][H:76])([H:77])[C@@:45]3([O:46][H:78])[H:79])([H:80])[H:81])([H:82])[H:83])([H:84])[C@:47]([O:48][H:85])([H:86])[C@:49]2([O:50][H:87])[H:88])[C:14]([H:66])=[C:13]1[H:65]