SMIRKS
[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([H])([H])C([H])([H])C(=O)[O:16][C:17]([C:18]([C:19]([O:20][C:21](=[O:22])[C:23]([C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([H:53])([H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([O:36][C:37](=[O:38])[C:39]([C:40]([C:41]([C:42]([C:43]([C:44]([C:45]([C:46]([C:47]([C:48]([C:49]([C:50]([C:51]([H:82])([H:83])[H:84])([H:85])[H:86])([H:87])[H:88])([H:89])[H:90])([H:91])[H:92])([H:93])[H:94])([H:95])[H:96])([H:97])[H:98])([H:99])[H:100])([H:101])[H:102])([H:103])[H:104])([H:105])[H:106])([H:107])[H:108])[H:109])([H:110])[H:111]>>[H][O:16][C:17]([C:18]([C:19]([O:20][C:21](=[O:22])[C:23]([C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([H:53])([H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([O:36][C:37](=[O:38])[C:39]([C:40]([C:41]([C:42]([C:43]([C:44]([C:45]([C:46]([C:47]([C:48]([C:49]([C:50]([C:51]([H:82])([H:83])[H:84])([H:85])[H:86])([H:87])[H:88])([H:89])[H:90])([H:91])[H:92])([H:93])[H:94])([H:95])[H:96])([H:97])[H:98])([H:99])[H:100])([H:101])[H:102])([H:103])[H:104])([H:105])[H:106])([H:107])[H:108])[H:109])([H:110])[H:111]
Derived Operators
EVODEX.1-F29 - Elemental Balance
| C | -14 |
| O | -1 |
| H | -26 |
EVODEX.1-M201 - Mass Difference
-210.19848
EVODEX.1-E471 - Reaction Operator E
[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#8])-[#8:16]-[#6:17])(-[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]>>[#8:16](-[#6:17])-[H]
EVODEX.1-C289 - Reaction Operator C
[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](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:16]>>[H]-[#8:16]
EVODEX.1-N328 - Reaction Operator N
[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](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:16]-[#6:17]>>[H]-[#8:16]-[#6:17]
Source Full Reactions
EVODEX.1-R4845
[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](=[O:15])[O:16][C:17]([C:18]([C:19]([O:20][C:21](=[O:22])[C:23]([C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([H:53])([H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([O:36][C:37](=[O:38])[C:39]([C:40]([C:41]([C:42]([C:43]([C:44]([C:45]([C:46]([C:47]([C:48]([C:49]([C:50]([C:51]([H:82])([H:83])[H:84])([H:85])[H:86])([H:87])[H:88])([H:89])[H:90])([H:91])[H:92])([H:93])[H:94])([H:95])[H:96])([H:97])[H:98])([H:99])[H:100])([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][O:52][H:139]>>[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](=[O:15])[O:52][H:139])([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][O:16][C:17]([C:18]([C:19]([O:20][C:21](=[O:22])[C:23]([C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([H:53])([H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([O:36][C:37](=[O:38])[C:39]([C:40]([C:41]([C:42]([C:43]([C:44]([C:45]([C:46]([C:47]([C:48]([C:49]([C:50]([C:51]([H:82])([H:83])[H:84])([H:85])[H:86])([H:87])[H:88])([H:89])[H:90])([H:91])[H:92])([H:93])[H:94])([H:95])[H:96])([H:97])[H:98])([H:99])[H:100])([H:101])[H:102])([H:103])[H:104])([H:105])[H:106])([H:107])[H:108])[H:109])([H:110])[H:111]