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EVODEX.1-P445

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1](=[C:2]([C:3]([O:4][C:5]1([H:62])[C:6]([H:63])([H:64])[C:7]([H:65])([H:66])[C:8](=[O:9])[C:10]([H:67])([H:68])[C:11]1([H:69])[H:70])([H:71])[H:72])[H:73])([H:74])[H:75]>>O1[C:8](=[O:9])[C:7]([H:65])([H:66])[C:6]([H:63])([H:64])[C:5]([O:4][C:3]([C:2](=[C:1]([H:74])[H:75])[H:73])([H:71])[H:72])([H:62])[C:11]([H:69])([H:70])[C:10]1([H:67])[H:68]

Derived Operators

EVODEX.1-F10 - Elemental Balance

O1

EVODEX.1-M6 - Mass Difference

15.9949

EVODEX.1-E422 - Reaction Operator E

Reaction Operator E SMIRKS

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

EVODEX.1-C99 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N182 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:49]=[#6:50](-[#6:51](-[H:94])(-[H:95])-[#6:52])-[#6:55]>>[#8](-[#6:50](=[#8:49])-[#6:55])-[#6:51](-[#6:52])(-[H:94])-[H:95]

EVODEX.1-Em264 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:49]=[#6:50](-[#6:51]-[#6:52])-[#6:55]>>[#8](-[#6:50](=[#8:49])-[#6:55])-[#6:51]-[#6:52]

EVODEX.1-Cm121 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm262 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:49]=[#6:50](-[#6:51]-[#6:52])-[#6:55]>>[#8](-[#6:50](=[#8:49])-[#6:55])-[#6:51]-[#6:52]

Source Full Reactions

EVODEX.1-R423

Full Reaction Rendering

[C:1](=[C:2]([C:3]([O:4][C:5]1([H:62])[C:6]([H:63])([H:64])[C:7]([H:65])([H:66])[C:8](=[O:9])[C:10]([H:67])([H:68])[C:11]1([H:69])[H:70])([H:71])[H:72])[H:73])([H:74])[H:75].[HH].[H][C:59]1([H:102])[C:15]([C:13]([N:12]([H:104])[H:105])=[O:14])=[C:16]([H:76])[N:17]([C@:18]2([H:77])[O:19][C@@:20]([C:21]([O:22][P:23](=[O:24])([O:25][H:78])[O:26][P:27](=[O:28])([O:29][H:79])[O:30][C:31]([C@@:32]3([H:80])[O:33][C@:34]([N:35]4:[C:36]([H:81]):[N:37]:[C:38]5:[C:39]([N:40]([H:82])[H:83]):[N:41]:[C:42]([H:84]):[N:43]:[C:44]:4:5)([H:85])[C@@:45]([O:46][P:47](=[O:48])([O:49][H:86])[O:50][H:87])([H:88])[C@@:51]3([O:52][H:89])[H:90])([H:91])[H:92])([H:93])[H:94])([H:95])[C@:53]([O:54][H:96])([H:97])[C@:55]2([O:56][H:98])[H:99])[C:57]([H:100])=[C:58]1[H:101].[O:60]=[O:61]>>[C:1](=[C:2]([C:3]([O:4][C:5]1([H:62])[C:6]([H:63])([H:64])[C:7]([H:65])([H:66])[C:8](=[O:9])[O:61][C:10]([H:67])([H:68])[C:11]1([H:69])[H:70])([H:71])[H:72])[H:73])([H:74])[H:75].[N:12]([C:13](=[O:14])[C:15]1:[C:16]([H:76]):[N+:17]([C@:18]2([H:77])[O:19][C@@:20]([C:21]([O:22][P:23](=[O:24])([O:25][H:78])[O:26][P:27](=[O:28])([O:29][H:79])[O:30][C:31]([C@@:32]3([H:80])[O:33][C@:34]([N:35]4:[C:36]([H:81]):[N:37]:[C:38]5:[C:39]([N:40]([H:82])[H:83]):[N:41]:[C:42]([H:84]):[N:43]:[C:44]:4:5)([H:85])[C@@:45]([O:46][P:47](=[O:48])([O:49][H:86])[O:50][H:87])([H:88])[C@@:51]3([O:52][H:89])[H:90])([H:91])[H:92])([H:93])[H:94])([H:95])[C@:53]([O:54][H:96])([H:97])[C@:55]2([O:56][H:98])[H:99]):[C:57]([H:100]):[C:58]([H:101]):[C:59]:1[H:102])([H:104])[H:105].[H][O:60][H]