SMIRKS
[H][O:92][C:91]([C:90]([C:89]([C:88]([C:87]([C:86]([C:85]([C:84]([C:83]([C:82]([C:81]([C:80]([C:79]([C:78]([C:77]([C:76]([C:75]([C:74]([C:73]([C:72]([H:208])([H:209])[H:210])([H:206])[H:207])([H:204])[H:205])([H:202])[H:203])([H:200])[H:201])([H:198])[H:199])([H:196])[H:197])([H:194])[H:195])([H:192])[H:193])([H:190])[H:191])([H:188])[H:189])([H:186])[H:187])([H:184])[H:185])([H:182])[H:183])([H:180])[H:181])([H:178])[H:179])([H:176])[H:177])([H:174])[H:175])([H:172])[H:173])([H:170])[H:171]>>[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:92][C:91]([C:90]([C:89]([C:88]([C:87]([C:86]([C:85]([C:84]([C:83]([C:82]([C:81]([C:80]([C:79]([C:78]([C:77]([C:76]([C:75]([C:74]([C:73]([C:72]([H:208])([H:209])[H:210])([H:206])[H:207])([H:204])[H:205])([H:202])[H:203])([H:200])[H:201])([H:198])[H:199])([H:196])[H:197])([H:194])[H:195])([H:192])[H:193])([H:190])[H:191])([H:188])[H:189])([H:186])[H:187])([H:184])[H:185])([H:182])[H:183])([H:180])[H:181])([H:178])[H:179])([H:176])[H:177])([H:174])[H:175])([H:172])[H:173])([H:170])[H:171])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
| O | 1 |
| C | 22 |
| H | 40 |
EVODEX.1-M337 - Mass Difference
320.30809999999997
EVODEX.1-E1109 - Reaction Operator E
[#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
[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
[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]
Source Full Reactions
EVODEX.1-R2607
[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:93])([C:37]([C:38]([H:94])([H:95])[H:96])([C:39]([H:97])([H:98])[H:99])[C:40]([O:41][P:42](=[O:43])([O:44][H:100])[O:45][P:46](=[O:47])([O:48][H:101])[O:49][C:50]([C@@:51]1([H:102])[O:52][C@:53]([N:54]2:[C:55]([H:103]):[N:56]:[C:57]3:[C:58]([N:59]([H:104])[H:105]):[N:60]:[C:61]([H:106]):[N:62]:[C:63]:2:3)([H:107])[C@@:64]([O:65][H:108])([H:109])[C@@:66]1([O:67][P:68](=[O:69])([O:70][H:110])[O:71][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:159])([H:160])[H:161])([H:162])[H:163])([H:164])[H:165])([H:166])([H:167])[H:168].[H][O:92][C:91]([C:90]([C:89]([C:88]([C:87]([C:86]([C:85]([C:84]([C:83]([C:82]([C:81]([C:80]([C:79]([C:78]([C:77]([C:76]([C:75]([C:74]([C:73]([C:72]([H:208])([H:209])[H:210])([H:206])[H:207])([H:204])[H:205])([H:202])[H:203])([H:200])[H:201])([H:198])[H:199])([H:196])[H:197])([H:194])[H:195])([H:192])[H:193])([H:190])[H:191])([H:188])[H:189])([H:186])[H:187])([H:184])[H:185])([H:182])[H:183])([H:180])[H:181])([H:178])[H:179])([H:176])[H:177])([H:174])[H:175])([H:172])[H:173])([H:170])[H:171]>>[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:92][C:91]([C:90]([C:89]([C:88]([C:87]([C:86]([C:85]([C:84]([C:83]([C:82]([C:81]([C:80]([C:79]([C:78]([C:77]([C:76]([C:75]([C:74]([C:73]([C:72]([H:208])([H:209])[H:210])([H:206])[H:207])([H:204])[H:205])([H:202])[H:203])([H:200])[H:201])([H:198])[H:199])([H:196])[H:197])([H:194])[H:195])([H:192])[H:193])([H:190])[H:191])([H:188])[H:189])([H:186])[H:187])([H:184])[H:185])([H:182])[H:183])([H:180])[H:181])([H:178])[H:179])([H:176])[H:177])([H:174])[H:175])([H:172])[H:173])([H:170])[H:171])([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:159])([H:160])[H:161])([H:162])[H:163])([H:164])[H:165])([H:166])([H:167])[H:168].[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:93])([C:37]([C:38]([H:94])([H:95])[H:96])([C:39]([H:97])([H:98])[H:99])[C:40]([O:41][P:42](=[O:43])([O:44][H:100])[O:45][P:46](=[O:47])([O:48][H:101])[O:49][C:50]([C@@:51]1([H:102])[O:52][C@:53]([N:54]2:[C:55]([H:103]):[N:56]:[C:57]3:[C:58]([N:59]([H:104])[H:105]):[N:60]:[C:61]([H:106]):[N:62]:[C:63]:2:3)([H:107])[C@@:64]([O:65][H:108])([H:109])[C@@:66]1([O:67][P:68](=[O:69])([O:70][H:110])[O:71][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]