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(=O)[O:33][C:34]([C@:35]([C:36]([O:37][P:38](=[O:39])([O:40][H:90])[O:41][C:42]([C:43]([N+:44]([C:45]([H:91])([H:92])[H:93])([C:46]([H:94])([H:95])[H:96])[C:47]([H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])([H:104])[H:105])([O:48][C:49](=[O:50])[C:51]([C:52]([C:53]([C:54]([C:55]([C:56]([C:57]([C:58]([C:59]([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][O:33][C:34]([C@:35]([C:36]([O:37][P:38](=[O:39])([O:40][H:90])[O:41][C:42]([C:43]([N+:44]([C:45]([H:91])([H:92])[H:93])([C:46]([H:94])([H:95])[H:96])[C:47]([H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])([H:104])[H:105])([O:48][C:49](=[O:50])[C:51]([C:52]([C:53]([C:54]([C:55]([C:56]([C:57]([C:58]([C:59]([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]
Derived Operators
EVODEX.1-F20 - Elemental Balance
| O | -1 |
| C | -10 |
| H | -18 |
EVODEX.1-M197 - Mass Difference
-154.13584
EVODEX.1-E459 - Reaction Operator E
[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#8])-[#8:12]-[#6:13])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H]>>[#8:12](-[#6:13])-[H]
EVODEX.1-C283 - 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](=[#8])-[#8:12]>>[H]-[#8:12]
EVODEX.1-N318 - 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](=[#8])-[#8:12]-[#6:13]>>[H]-[#8:12]-[#6:13]
Source Full Reactions
EVODEX.1-R2016
[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:87])([H:88])[H:89])[C:21]([H:85])([H:86])[C:20]([H:83])([H:84])[C:19]([H:81])([H:82])[C:16]1([C:17]([H:75])([H:76])[H:77])[C:18]([H:78])([H:79])[H:80])[H:74])[H:73])[C:7]([H:60])([H:61])[H:62])[H:72])[H:71])[H:70])[C:12]([H:63])([H:64])[H:65])[H:69])([H:67])[H:68].[C:22]([C:23]([C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31](=[O:32])[O:33][C:34]([C@:35]([C:36]([O:37][P:38](=[O:39])([O:40][H:90])[O:41][C:42]([C:43]([N+:44]([C:45]([H:91])([H:92])[H:93])([C:46]([H:94])([H:95])[H:96])[C:47]([H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])([H:104])[H:105])([O:48][C:49](=[O:50])[C:51]([C:52]([C:53]([C:54]([C:55]([C:56]([C:57]([C:58]([C:59]([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]>>[C:1]([C:2]1=[C:3]([C:4](=[C:5]([C:6]([C:7]([H:60])([H:61])[H:62])=[C:8]([C:9](=[C:10]([C:11]([C:12]([H:63])([H:64])[H:65])=[C:13]([C:14]([O:15][C:31]([C:30]([C:29]([C:28]([C:27]([C:26]([C:25]([C:24]([C:23]([C:22]([H:144])([H:145])[H:146])([H:142])[H:143])([H:140])[H:141])([H:138])[H:139])([H:136])[H:137])([H:134])[H:135])([H:132])[H:133])([H:130])[H:131])([H:128])[H:129])=[O:32])([H:67])[H:68])[H:69])[H:70])[H:71])[H:72])[H:73])[H:74])[C:16]([C:17]([H:75])([H:76])[H:77])([C:18]([H:78])([H:79])[H:80])[C:19]([H:81])([H:82])[C:20]([H:83])([H:84])[C:21]1([H:85])[H:86])([H:87])([H:88])[H:89].[H][O:33][C:34]([C@:35]([C:36]([O:37][P:38](=[O:39])([O:40][H:90])[O:41][C:42]([C:43]([N+:44]([C:45]([H:91])([H:92])[H:93])([C:46]([H:94])([H:95])[H:96])[C:47]([H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])([H:104])[H:105])([O:48][C:49](=[O:50])[C:51]([C:52]([C:53]([C:54]([C:55]([C:56]([C:57]([C:58]([C:59]([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]