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(=O)[O:35][C:36]([C@:37]([C:38]([O:39][P:40](=[O:41])([O:42][H:94])[O:43][C:44]([C:45]([N+:46]([C:47]([H:95])([H:96])[H:97])([C:48]([H:98])([H:99])[H:100])[C:49]([H:101])([H:102])[H:103])([H:104])[H:105])([H:106])[H:107])([H:108])[H:109])([O:50][C:51](=[O:52])[C:53]([C:54]([C:55]([C:56]([C:57]([C:58]([C:59]([C:60]([C:61]([C:62]([C:63]([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][O:35][C:36]([C@:37]([C:38]([O:39][P:40](=[O:41])([O:42][H:94])[O:43][C:44]([C:45]([N+:46]([C:47]([H:95])([H:96])[H:97])([C:48]([H:98])([H:99])[H:100])[C:49]([H:101])([H:102])[H:103])([H:104])[H:105])([H:106])[H:107])([H:108])[H:109])([O:50][C:51](=[O:52])[C:53]([C:54]([C:55]([C:56]([C:57]([C:58]([C:59]([C:60]([C:61]([C:62]([C:63]([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]
Derived Operators
EVODEX.1-F22 - Elemental Balance
| O | -1 |
| C | -12 |
| H | -22 |
EVODEX.1-M94 - Mass Difference
-182.16716
EVODEX.1-E462 - Reaction Operator E
[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#8])-[#8:14]-[#6:15])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H]>>[#8:14](-[#6:15])-[H]
EVODEX.1-C285 - 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](=[#8])-[#8:14]>>[H]-[#8:14]
EVODEX.1-N320 - 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](=[#8])-[#8:14]-[#6:15]>>[H]-[#8:14]-[#6:15]
Source Full Reactions
EVODEX.1-R2018
[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:91])([H:92])[H:93])[C:21]([H:89])([H:90])[C:20]([H:87])([H:88])[C:19]([H:85])([H:86])[C:16]1([C:17]([H:79])([H:80])[H:81])[C:18]([H:82])([H:83])[H:84])[H:78])[H:77])[C:7]([H:64])([H:65])[H:66])[H:76])[H:75])[H:74])[C:12]([H:67])([H:68])[H:69])[H:73])([H:71])[H:72].[C:22]([C:23]([C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33](=[O:34])[O:35][C:36]([C@:37]([C:38]([O:39][P:40](=[O:41])([O:42][H:94])[O:43][C:44]([C:45]([N+:46]([C:47]([H:95])([H:96])[H:97])([C:48]([H:98])([H:99])[H:100])[C:49]([H:101])([H:102])[H:103])([H:104])[H:105])([H:106])[H:107])([H:108])[H:109])([O:50][C:51](=[O:52])[C:53]([C:54]([C:55]([C:56]([C:57]([C:58]([C:59]([C:60]([C:61]([C:62]([C:63]([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:147])([H:148])[H:149])([H:150])[H:151])([H:152])[H:153])([H:154])[H:155])([H:156])([H:157])[H:158]>>[C:1]([C:2]1=[C:3]([C:4](=[C:5]([C:6]([C:7]([H:64])([H:65])[H:66])=[C:8]([C:9](=[C:10]([C:11]([C:12]([H:67])([H:68])[H:69])=[C:13]([C:14]([O:15][C:33]([C:32]([C:31]([C:30]([C:29]([C:28]([C:27]([C:26]([C:25]([C:24]([C:23]([C:22]([H:156])([H:157])[H:158])([H:154])[H:155])([H:152])[H:153])([H:150])[H:151])([H:148])[H:149])([H:146])[H:147])([H:144])[H:145])([H:142])[H:143])([H:140])[H:141])([H:138])[H:139])([H:136])[H:137])=[O:34])([H:71])[H:72])[H:73])[H:74])[H:75])[H:76])[H:77])[H:78])[C:16]([C:17]([H:79])([H:80])[H:81])([C:18]([H:82])([H:83])[H:84])[C:19]([H:85])([H:86])[C:20]([H:87])([H:88])[C:21]1([H:89])[H:90])([H:91])([H:92])[H:93].[H][O:35][C:36]([C@:37]([C:38]([O:39][P:40](=[O:41])([O:42][H:94])[O:43][C:44]([C:45]([N+:46]([C:47]([H:95])([H:96])[H:97])([C:48]([H:98])([H:99])[H:100])[C:49]([H:101])([H:102])[H:103])([H:104])[H:105])([H:106])[H:107])([H:108])[H:109])([O:50][C:51](=[O:52])[C:53]([C:54]([C:55]([C:56]([C:57]([C:58]([C:59]([C:60]([C:61]([C:62]([C:63]([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]