SMIRKS
[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]>>[H]C(=C([H])C(=C([H])C([H])([H])O[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])C([H])([H])[H])C([H])=C(C([H])=C([H])C1=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H].[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-F92 - Elemental Balance
| C | 20 |
| O | 1 |
| H | 30 |
EVODEX.1-M62 - Mass Difference
286.2298
EVODEX.1-E669 - Reaction Operator E
[#6:38]-[#6:39](=[#8:40])-[#8:41]-[#6:42]>>[#6](-[#6]1=[#6](-[#6](=[#6](-[#6](-[#6](-[H])(-[H])-[H])=[#6](-[#6](=[#6](-[#6](-[#6](-[H])(-[H])-[H])=[#6](-[#6](-[#8]-[#6:39](-[#6:38])=[#8:40])(-[H])-[H])-[H])-[H])-[H])-[H])-[H])-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6]-1(-[H])-[H])(-[H])(-[H])-[H].[#8:41](-[#6:42])-[H]
EVODEX.1-C960 - Reaction Operator C
[#6:39]-[#8:41]>>[H]-[#6](=[#6](-[H])-[#6](=[#6](-[H])-[#6](-[H])(-[H])-[#8]-[#6:39])-[#6](-[H])(-[H])-[H])-[#6](-[H])=[#6](-[#6](-[H])=[#6](-[H])-[#6]1=[#6](-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6]-1(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:41]
EVODEX.1-N1200 - Reaction Operator N
[#6:38]-[#6:39](=[#8:40])-[#8:41]-[#6:42]>>[H]-[#6](=[#6](-[H])-[#6](=[#6](-[H])-[#6](-[H])(-[H])-[#8]-[#6:39](-[#6:38])=[#8:40])-[#6](-[H])(-[H])-[H])-[#6](-[H])=[#6](-[#6](-[H])=[#6](-[H])-[#6]1=[#6](-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6]-1(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:41]-[#6:42]
EVODEX.1-Em94 - Reaction Operator Em
[#6:51]-[#8:52]-[#6:53](=[#8:54])-[#6:55]>>[#6]-[#8]-[#6:53](=[#8:54])-[#6:55].[H]-[#8:52]-[#6:51]
EVODEX.1-Nm127 - Reaction Operator Nm
[#6:51]-[#8:52]-[#6:53](=[#8:54])-[#6:55]>>[#6]-[#8]-[#6:53](=[#8:54])-[#6:55].[H]-[#8:52]-[#6:51]
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]