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EVODEX.1-P3737

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:9][C:8]([C:7]([C@@:5]([C:4]([C:3]([C@@:2]([C:1]([H:110])([H:111])[H:112])([C@@:12]1([H:78])[C:13]([H:79])([H:80])[C:14]([H:81])([H:82])[C@@:15]2([H:83])[C@:16]3([H:84])[C@@:17]([O:18][H:85])([H:86])[C:19]([H:87])([H:88])[C@:20]4([H:89])[C:21]([H:90])([H:91])[C@@:22]([O:23][H:92])([H:93])[C:24]([H:94])([H:95])[C:25]([H:96])([H:97])[C@:26]4([C:27]([H:98])([H:99])[H:100])[C@@:28]3([H:101])[C:29]([H:102])([H:103])[C@@:30]([O:31][H:104])([H:105])[C@:32]12[C:33]([H:106])([H:107])[H:108])[H:109])([H:76])[H:77])([H:74])[H:75])([O:6][H:65])[H:73])([C:10]([O:11][H:69])([H:70])[H:71])[H:72])([H:67])[H:68]>>[H]OS(=O)(=O)[O:9][C:8]([C:7]([C@@:5]([C:4]([C:3]([C@@:2]([C:1]([H:110])([H:111])[H:112])([C@@:12]1([H:78])[C:13]([H:79])([H:80])[C:14]([H:81])([H:82])[C@@:15]2([H:83])[C@:16]3([H:84])[C@@:17]([O:18][H:85])([H:86])[C:19]([H:87])([H:88])[C@:20]4([H:89])[C:21]([H:90])([H:91])[C@@:22]([O:23][H:92])([H:93])[C:24]([H:94])([H:95])[C:25]([H:96])([H:97])[C@:26]4([C:27]([H:98])([H:99])[H:100])[C@@:28]3([H:101])[C:29]([H:102])([H:103])[C@@:30]([O:31][H:104])([H:105])[C@:32]12[C:33]([H:106])([H:107])[H:108])[H:109])([H:76])[H:77])([H:74])[H:75])([O:6][H:65])[H:73])([C:10]([O:11][H:69])([H:70])[H:71])[H:72])([H:67])[H:68]

Derived Operators

EVODEX.1-F286 - Elemental Balance

O3
S1

EVODEX.1-M143 - Mass Difference

79.9568

EVODEX.1-E1043 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:7]-[#8:8]-[H]>>[#6:7]-[#8:8]-[#16](=[#8])(=[#8])-[#8]-[H]

EVODEX.1-C482 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:3]>>[H]-[#8]-[#16](=[#8])(=[#8])-[#8:3]

EVODEX.1-N592 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:3]-[#6:2]>>[H]-[#8]-[#16](=[#8])(=[#8])-[#8:3]-[#6:2]

EVODEX.1-Em568 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:3]-[#6:2]>>[#8]-[#16](=[#8])(=[#8])-[#8:3]-[#6:2]

EVODEX.1-Cm257 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:3]>>[#16]-[#8:3]

EVODEX.1-Nm514 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:3]-[#6:2]>>[#8]-[#16](=[#8])(=[#8])-[#8:3]-[#6:2]

Source Full Reactions

EVODEX.1-R4570

Full Reaction Rendering

[H][O:9][C:8]([C:7]([C@@:5]([C:4]([C:3]([C@@:2]([C:1]([H:110])([H:111])[H:112])([C@@:12]1([H:78])[C:13]([H:79])([H:80])[C:14]([H:81])([H:82])[C@@:15]2([H:83])[C@:16]3([H:84])[C@@:17]([O:18][H:85])([H:86])[C:19]([H:87])([H:88])[C@:20]4([H:89])[C:21]([H:90])([H:91])[C@@:22]([O:23][H:92])([H:93])[C:24]([H:94])([H:95])[C:25]([H:96])([H:97])[C@:26]4([C:27]([H:98])([H:99])[H:100])[C@@:28]3([H:101])[C:29]([H:102])([H:103])[C@@:30]([O:31][H:104])([H:105])[C@:32]12[C:33]([H:106])([H:107])[H:108])[H:109])([H:76])[H:77])([H:74])[H:75])([O:6][H:65])[H:73])([C:10]([O:11][H:69])([H:70])[H:71])[H:72])([H:67])[H:68].[N:34]([C:35]1:[N:36]:[C:37]([H:113]):[N:38]:[C:39]2:[C:40]:1:[N:41]:[C:42]([H:114]):[N:43]:2[C@:44]1([H:115])[O:45][C@@:46]([C:47]([O:48][P:49](=[O:50])([O:51][H:116])[O:52][S:53](=[O:54])(=[O:55])[O:56][H:117])([H:118])[H:119])([H:120])[C@:57]([O:58][P:59](=[O:60])([O:61][H:121])[O:62][H:122])([H:123])[C@:63]1([O:64][H:124])[H:125])([H:126])[H:127]>>[C:1]([C@:2]([C:3]([C:4]([C@@:5]([O:6][H:65])([C:7]([C:8]([O:9][S:53](=[O:54])(=[O:55])[O:56][H:117])([H:67])[H:68])([C:10]([O:11][H:69])([H:70])[H:71])[H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([C@@:12]1([H:78])[C:13]([H:79])([H:80])[C:14]([H:81])([H:82])[C@@:15]2([H:83])[C@:16]3([H:84])[C@@:17]([O:18][H:85])([H:86])[C:19]([H:87])([H:88])[C@:20]4([H:89])[C:21]([H:90])([H:91])[C@@:22]([O:23][H:92])([H:93])[C:24]([H:94])([H:95])[C:25]([H:96])([H:97])[C@:26]4([C:27]([H:98])([H:99])[H:100])[C@@:28]3([H:101])[C:29]([H:102])([H:103])[C@@:30]([O:31][H:104])([H:105])[C@:32]12[C:33]([H:106])([H:107])[H:108])[H:109])([H:110])([H:111])[H:112].[H][O:52][P:49]([O:48][C:47]([C@@:46]1([H:120])[O:45][C@:44]([N:43]2:[C:39]3:[N:38]:[C:37]([H:113]):[N:36]:[C:35]([N:34]([H:126])[H:127]):[C:40]:3:[N:41]:[C:42]:2[H:114])([H:115])[C@@:63]([O:64][H:124])([H:125])[C@@:57]1([O:58][P:59](=[O:60])([O:61][H:121])[O:62][H:122])[H:123])([H:118])[H:119])(=[O:50])[O:51][H:116]