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EVODEX.1-P1922

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:82][C:81]([C:80]([C:79]([C:78]([C:77]([C:76]([C:75]([C:74]([C:73]([C:72]([H:178])([H:179])[H:180])([H:176])[H:177])([H:174])[H:175])([H:172])[H:173])([H:170])[H:171])([H:168])[H:169])([H:166])[H:167])([H:164])[H:165])([H:162])[H:163])([H:160])[H:161]>>[H]C(=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)[O:82][C:81]([C:80]([C:79]([C:78]([C:77]([C:76]([C:75]([C:74]([C:73]([C:72]([H:178])([H:179])[H:180])([H:176])[H:177])([H:174])[H:175])([H:172])[H:173])([H:170])[H:171])([H:168])[H:169])([H:166])[H:167])([H:164])[H:165])([H:162])[H:163])([H:160])[H:161])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]

Derived Operators

EVODEX.1-F327 - Elemental Balance

O1
C22
H40

EVODEX.1-M337 - Mass Difference

320.30809999999997

EVODEX.1-E1109 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:85]-[#8:86]-[H]>>[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#8])-[#8:86]-[#6:85])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H]

EVODEX.1-C358 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:90]>>[H]-[#6](=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:90])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H]

EVODEX.1-N411 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:90]-[#6:89]>>[H]-[#6](=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:90]-[#6:89])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H]

EVODEX.1-Em8 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

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-R2604

Full Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9](=[C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18]([C:19]([C:20]([C:21]([C:22](=[O:23])[S:24][C:25]([C:26]([N:27]([C:28](=[O:29])[C:30]([C:31]([N:32]([C:33](=[O:34])[C@:35]([O:36][H:83])([C:37]([C:38]([H:84])([H:85])[H:86])([C:39]([H:87])([H:88])[H:89])[C:40]([O:41][P:42](=[O:43])([O:44][H:90])[O:45][P:46](=[O:47])([O:48][H:91])[O:49][C:50]([C@@:51]1([H:92])[O:52][C@:53]([N:54]2:[C:55]([H:93]):[N:56]:[C:57]3:[C:58]([N:59]([H:94])[H:95]):[N:60]:[C:61]([H:96]):[N:62]:[C:63]:2:3)([H:97])[C@@:64]([O:65][H:98])([H:99])[C@@:66]1([O:67][P:68](=[O:69])([O:70][H:100])[O:71][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:118])[H:119])([H:120])[H:121])([H:122])[H:123])([H:124])[H:125])([H:126])[H:127])([H:128])[H:129])([H:130])[H:131])([H:132])[H:133])([H:134])[H:135])([H:136])[H:137])([H:138])[H:139])[H:140])[H:141])([H:142])[H:143])([H:144])[H:145])([H:146])[H:147])([H:148])[H:149])([H:150])[H:151])([H:152])[H:153])([H:154])[H:155])([H:156])([H:157])[H:158].[H][O:82][C:81]([C:80]([C:79]([C:78]([C:77]([C:76]([C:75]([C:74]([C:73]([C:72]([H:178])([H:179])[H:180])([H:176])[H:177])([H:174])[H:175])([H:172])[H:173])([H:170])[H:171])([H:168])[H:169])([H:166])[H:167])([H:164])[H:165])([H:162])[H:163])([H:160])[H:161]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9](=[C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18]([C:19]([C:20]([C:21]([C:22](=[O:23])[O:82][C:81]([C:80]([C:79]([C:78]([C:77]([C:76]([C:75]([C:74]([C:73]([C:72]([H:178])([H:179])[H:180])([H:176])[H:177])([H:174])[H:175])([H:172])[H:173])([H:170])[H:171])([H:168])[H:169])([H:166])[H:167])([H:164])[H:165])([H:162])[H:163])([H:160])[H:161])([H:118])[H:119])([H:120])[H:121])([H:122])[H:123])([H:124])[H:125])([H:126])[H:127])([H:128])[H:129])([H:130])[H:131])([H:132])[H:133])([H:134])[H:135])([H:136])[H:137])([H:138])[H:139])[H:140])[H:141])([H:142])[H:143])([H:144])[H:145])([H:146])[H:147])([H:148])[H:149])([H:150])[H:151])([H:152])[H:153])([H:154])[H:155])([H:156])([H:157])[H:158].[H][S:24][C:25]([C:26]([N:27]([C:28](=[O:29])[C:30]([C:31]([N:32]([C:33](=[O:34])[C@:35]([O:36][H:83])([C:37]([C:38]([H:84])([H:85])[H:86])([C:39]([H:87])([H:88])[H:89])[C:40]([O:41][P:42](=[O:43])([O:44][H:90])[O:45][P:46](=[O:47])([O:48][H:91])[O:49][C:50]([C@@:51]1([H:92])[O:52][C@:53]([N:54]2:[C:55]([H:93]):[N:56]:[C:57]3:[C:58]([N:59]([H:94])[H:95]):[N:60]:[C:61]([H:96]):[N:62]:[C:63]:2:3)([H:97])[C@@:64]([O:65][H:98])([H:99])[C@@:66]1([O:67][P:68](=[O:69])([O:70][H:100])[O:71][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]