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EVODEX.1-P1524

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:68][C:67]([C:66]([C:65]1:[C:64]([H:118]):[C:63]([O:62][C:61]([H:127])([H:128])[H:129]):[C:74]([O:75][H:126]):[C:73]([H:125]):[C:72]:1[H:124])([H:122])[H:123])([C:69](=[O:70])[O:71][H:120])[H:121]>>[H]OC1:C([H]):C([H]):C(C([H])=C([H])C(=O)[O:68][C:67]([C:66]([C:65]2:[C:64]([H:118]):[C:63]([O:62][C:61]([H:127])([H:128])[H:129]):[C:74]([O:75][H:126]):[C:73]([H:125]):[C:72]:2[H:124])([H:122])[H:123])([C:69](=[O:70])[O:71][H:120])[H:121]):C([H]):C:1O[H]

Derived Operators

EVODEX.1-F205 - Elemental Balance

C9
O3
H6

EVODEX.1-M129 - Mass Difference

162.03168

EVODEX.1-E908 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4]-[#8:5]-[H]>>[#6:4]-[#8:5]-[#6](=[#8])-[#6](=[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[#8]-[H]):[#6]:1-[H])-[H])-[H]

EVODEX.1-C273 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:26]>>[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])=[#6](-[H])-[#6](=[#8])-[#8:26]):[#6](-[H]):[#6]:1-[#8]-[H]

EVODEX.1-N305 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:26]-[#6:27]>>[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])=[#6](-[H])-[#6](=[#8])-[#8:26]-[#6:27]):[#6](-[H]):[#6]:1-[#8]-[H]

EVODEX.1-Em42 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:17]-[#6:18]>>[#6]=[#6]-[#6](=[#8])-[#8:17]-[#6:18]

EVODEX.1-Cm7 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:28]>>[#6]-[#8:28]

EVODEX.1-Nm5 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:28]-[#6:27]>>[#6]-[#6](=[#8])-[#8:28]-[#6:27]

Source Full Reactions

EVODEX.1-R2051

Full Reaction Rendering

[C:1]([C:2]([C:3]([H:76])([H:77])[H:78])([C:4]([O:5][P:6](=[O:7])([O:8][H:79])[O:9][P:10](=[O:11])([O:12][H:80])[O:13][C:14]([C@@:15]1([H:81])[O:16][C@:17]([N:18]2:[C:19]([H:82]):[N:20]:[C:21]3:[C:22]([N:23]([H:83])[H:84]):[N:24]:[C:25]([H:85]):[N:26]:[C:27]:2:3)([H:86])[C@@:28]([O:29][H:87])([H:88])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:89])[O:35][H:90])[H:91])([H:92])[H:93])([H:94])[H:95])[C@@:36]([O:37][H:96])([C:38](=[O:39])[N:40]([C:41]([C:42]([C:43](=[O:44])[N:45]([C:46]([C:47]([S:48][C:49](=[O:50])[C:51](=[C:52]([C:53]1:[C:54]([H:97]):[C:55]([H:98]):[C:56]([O:57][H:99]):[C:58]([O:59][H:100]):[C:60]:1[H:101])[H:102])[H:103])([H:104])[H:105])([H:106])[H:107])[H:108])([H:109])[H:110])([H:111])[H:112])[H:113])[H:114])([H:115])([H:116])[H:117].[H][O:68][C:67]([C:66]([C:65]1:[C:64]([H:118]):[C:63]([O:62][C:61]([H:127])([H:128])[H:129]):[C:74]([O:75][H:126]):[C:73]([H:125]):[C:72]:1[H:124])([H:122])[H:123])([C:69](=[O:70])[O:71][H:120])[H:121]>>[C:49](=[O:50])([C:51](=[C:52]([C:53]1:[C:54]([H:97]):[C:55]([H:98]):[C:56]([O:57][H:99]):[C:58]([O:59][H:100]):[C:60]:1[H:101])[H:102])[H:103])[O:68][C:67]([C:66]([C:65]1:[C:64]([H:118]):[C:63]([O:62][C:61]([H:127])([H:128])[H:129]):[C:74]([O:75][H:126]):[C:73]([H:125]):[C:72]:1[H:124])([H:122])[H:123])([C:69](=[O:70])[O:71][H:120])[H:121].[H][S:48][C:47]([C:46]([N:45]([C:43]([C:42]([C:41]([N:40]([C:38]([C@@:36]([C:2]([C:1]([H:115])([H:116])[H:117])([C:3]([H:76])([H:77])[H:78])[C:4]([O:5][P:6](=[O:7])([O:8][H:79])[O:9][P:10](=[O:11])([O:12][H:80])[O:13][C:14]([C@@:15]1([H:81])[O:16][C@:17]([N:18]2:[C:19]([H:82]):[N:20]:[C:21]3:[C:22]([N:23]([H:83])[H:84]):[N:24]:[C:25]([H:85]):[N:26]:[C:27]:2:3)([H:86])[C@@:28]([O:29][H:87])([H:88])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:89])[O:35][H:90])[H:91])([H:92])[H:93])([H:94])[H:95])([O:37][H:96])[H:114])=[O:39])[H:113])([H:111])[H:112])([H:109])[H:110])=[O:44])[H:108])([H:106])[H:107])([H:104])[H:105]