SMIRKS
[H][O:92][C@:91]([C:90]([O:89][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]([C:71]([C:70]([H:221])([H:222])[H:223])([H:219])[H:220])([H:217])[H:218])([H:215])[H:216])([H:213])[H:214])([H:211])[H:212])([H:209])[H:210])([H:207])[H:208])[H:206])[H:205])([H:203])[H:204])([H:201])[H:202])([H:199])[H:200])([H:197])[H:198])([H:195])[H:196])([H:193])[H:194])([H:191])[H:192])=[O:88])([H:189])[H:190])([C:93]([O:94][P:95](=[O:96])([O:97][H:172])[O:98][C:99]([C:100]([N+:101]([C:102]([H:173])([H:174])[H:175])([C:103]([H:176])([H:177])[H:178])[C:104]([H:179])([H:180])[H:181])([H:182])[H:183])([H:184])[H:185])([H:186])[H:187])[H:188]>>[H]C(=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C(=O)[O:92][C@:91]([C:90]([O:89][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]([C:71]([C:70]([H:221])([H:222])[H:223])([H:219])[H:220])([H:217])[H:218])([H:215])[H:216])([H:213])[H:214])([H:211])[H:212])([H:209])[H:210])([H:207])[H:208])[H:206])[H:205])([H:203])[H:204])([H:201])[H:202])([H:199])[H:200])([H:197])[H:198])([H:195])[H:196])([H:193])[H:194])([H:191])[H:192])=[O:88])([H:189])[H:190])([C:93]([O:94][P:95](=[O:96])([O:97][H:172])[O:98][C:99]([C:100]([N+:101]([C:102]([H:173])([H:174])[H:175])([C:103]([H:176])([H:177])[H:178])[C:104]([H:179])([H:180])[H:181])([H:182])[H:183])([H:184])[H:185])([H:186])[H:187])[H:188])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
Derived Operators
EVODEX.1-F92 - Elemental Balance
| C | 20 |
| O | 1 |
| H | 30 |
EVODEX.1-M62 - Mass Difference
286.2298
EVODEX.1-E668 - Reaction Operator E
[#6:88]-[#6@@:89](-[#8:90]-[H])(-[#6:91])-[H:168]>>[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#6](-[#6](-[#6](=[#6](-[#6](-[#6](=[#6](-[#6](-[#6](=[#6](-[#6](-[#6](-[#6](-[#6](=[#8])-[#8:90]-[#6@:89](-[#6:88])(-[#6:91])-[H:168])(-[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-C158 - Reaction Operator C
[H]-[#8:86]>>[H]-[#6](=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:86])-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H]
EVODEX.1-N72 - Reaction Operator N
[H]-[#8:86]-[#6:85]>>[H]-[#6](=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:86]-[#6:85])-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H]
Source Full Reactions
EVODEX.1-R2456
[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](=[O:21])[S:22][C:23]([C:24]([N:25]([C:26](=[O:27])[C:28]([C:29]([N:30]([C:31](=[O:32])[C@:33]([O:34][H:105])([C:35]([C:36]([H:106])([H:107])[H:108])([C:37]([H:109])([H:110])[H:111])[C:38]([O:39][P:40](=[O:41])([O:42][H:112])[O:43][P:44](=[O:45])([O:46][H:113])[O:47][C:48]([C@@:49]1([H:114])[O:50][C@:51]([N:52]2:[C:53]([H:115]):[N:54]:[C:55]3:[C:56]([N:57]([H:116])[H:117]):[N:58]:[C:59]([H:118]):[N:60]:[C:61]:2:3)([H:119])[C@@:62]([O:63][H:120])([H:121])[C@@:64]1([O:65][P:66](=[O:67])([O:68][H:122])[O:69][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:169])[H:170].[H][O:92][C@:91]([C:90]([O:89][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]([C:71]([C:70]([H:221])([H:222])[H:223])([H:219])[H:220])([H:217])[H:218])([H:215])[H:216])([H:213])[H:214])([H:211])[H:212])([H:209])[H:210])([H:207])[H:208])[H:206])[H:205])([H:203])[H:204])([H:201])[H:202])([H:199])[H:200])([H:197])[H:198])([H:195])[H:196])([H:193])[H:194])([H:191])[H:192])=[O:88])([H:189])[H:190])([C:93]([O:94][P:95](=[O:96])([O:97][H:172])[O:98][C:99]([C:100]([N+:101]([C:102]([H:173])([H:174])[H:175])([C:103]([H:176])([H:177])[H:178])[C:104]([H:179])([H:180])[H:181])([H:182])[H:183])([H:184])[H:185])([H:186])[H:187])[H:188]>>[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](=[O:21])[O:92][C@:91]([C:90]([O:89][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]([C:71]([C:70]([H:221])([H:222])[H:223])([H:219])[H:220])([H:217])[H:218])([H:215])[H:216])([H:213])[H:214])([H:211])[H:212])([H:209])[H:210])([H:207])[H:208])[H:206])[H:205])([H:203])[H:204])([H:201])[H:202])([H:199])[H:200])([H:197])[H:198])([H:195])[H:196])([H:193])[H:194])([H:191])[H:192])=[O:88])([H:189])[H:190])([C:93]([O:94][P:95](=[O:96])([O:97][H:172])[O:98][C:99]([C:100]([N+:101]([C:102]([H:173])([H:174])[H:175])([C:103]([H:176])([H:177])[H:178])[C:104]([H:179])([H:180])[H:181])([H:182])[H:183])([H:184])[H:185])([H:186])[H:187])[H:188])([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:169])[H:170].[H][S:22][C:23]([C:24]([N:25]([C:26](=[O:27])[C:28]([C:29]([N:30]([C:31](=[O:32])[C@:33]([O:34][H:105])([C:35]([C:36]([H:106])([H:107])[H:108])([C:37]([H:109])([H:110])[H:111])[C:38]([O:39][P:40](=[O:41])([O:42][H:112])[O:43][P:44](=[O:45])([O:46][H:113])[O:47][C:48]([C@@:49]1([H:114])[O:50][C@:51]([N:52]2:[C:53]([H:115]):[N:54]:[C:55]3:[C:56]([N:57]([H:116])[H:117]):[N:58]:[C:59]([H:118]):[N:60]:[C:61]:2:3)([H:119])[C@@:62]([O:63][H:120])([H:121])[C@@:64]1([O:65][P:66](=[O:67])([O:68][H:122])[O:69][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]