SMIRKS
[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:31][C:32]([C@:33]([C:34]([O:35][P:36](=[O:37])([O:38][H:86])[O:39][C:40]([C:41]([N+:42]([C:43]([H:87])([H:88])[H:89])([C:44]([H:90])([H:91])[H:92])[C:45]([H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([O:46][C:47](=[O:48])[C:49]([C:50]([C:51]([C:52]([C:53]([C:54]([C:55]([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][O:31][C:32]([C@:33]([C:34]([O:35][P:36](=[O:37])([O:38][H:86])[O:39][C:40]([C:41]([N+:42]([C:43]([H:87])([H:88])[H:89])([C:44]([H:90])([H:91])[H:92])[C:45]([H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([O:46][C:47](=[O:48])[C:49]([C:50]([C:51]([C:52]([C:53]([C:54]([C:55]([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]
Derived Operators
EVODEX.1-F8 - Elemental Balance
| O | -1 |
| C | -8 |
| H | -14 |
EVODEX.1-M92 - Mass Difference
-126.10452
EVODEX.1-E334 - Reaction Operator E
[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#8])-[#8:10]-[#6:11])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H]>>[#8:10](-[#6:11])-[H]
EVODEX.1-C286 - 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](=[#8])-[#8:10]>>[H]-[#8:10]
EVODEX.1-N321 - 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](=[#8])-[#8:10]-[#6:11]>>[H]-[#8:10]-[#6:11]
Source Full Reactions
EVODEX.1-R2020
[H][O:15][C:14]([C:13](=[C:11]([C:10](=[C:9]([C:8](=[C:6]([C:5](=[C:4]([C:3]1=[C:2]([C:1]([H:83])([H:84])[H:85])[C:21]([H:81])([H:82])[C:20]([H:79])([H:80])[C:19]([H:77])([H:78])[C:16]1([C:17]([H:71])([H:72])[H:73])[C:18]([H:74])([H:75])[H:76])[H:70])[H:69])[C:7]([H:56])([H:57])[H:58])[H:68])[H:67])[H:66])[C:12]([H:59])([H:60])[H:61])[H:65])([H:63])[H:64].[C:22]([C:23]([C:24]([C:25]([C:26]([C:27]([C:28]([C:29](=[O:30])[O:31][C:32]([C@:33]([C:34]([O:35][P:36](=[O:37])([O:38][H:86])[O:39][C:40]([C:41]([N+:42]([C:43]([H:87])([H:88])[H:89])([C:44]([H:90])([H:91])[H:92])[C:45]([H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([O:46][C:47](=[O:48])[C:49]([C:50]([C:51]([C:52]([C:53]([C:54]([C:55]([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]>>[C:1]([C:2]1=[C:3]([C:4](=[C:5]([C:6]([C:7]([H:56])([H:57])[H:58])=[C:8]([C:9](=[C:10]([C:11]([C:12]([H:59])([H:60])[H:61])=[C:13]([C:14]([O:15][C:29]([C:28]([C:27]([C:26]([C:25]([C:24]([C:23]([C:22]([H:132])([H:133])[H:134])([H:130])[H:131])([H:128])[H:129])([H:126])[H:127])([H:124])[H:125])([H:122])[H:123])([H:120])[H:121])=[O:30])([H:63])[H:64])[H:65])[H:66])[H:67])[H:68])[H:69])[H:70])[C:16]([C:17]([H:71])([H:72])[H:73])([C:18]([H:74])([H:75])[H:76])[C:19]([H:77])([H:78])[C:20]([H:79])([H:80])[C:21]1([H:81])[H:82])([H:83])([H:84])[H:85].[H][O:31][C:32]([C@:33]([C:34]([O:35][P:36](=[O:37])([O:38][H:86])[O:39][C:40]([C:41]([N+:42]([C:43]([H:87])([H:88])[H:89])([C:44]([H:90])([H:91])[H:92])[C:45]([H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([O:46][C:47](=[O:48])[C:49]([C:50]([C:51]([C:52]([C:53]([C:54]([C:55]([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]