SMIRKS
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12](=[O:13])[S:14][C:15]([C:16]([N:17]([C:18](=[O:19])[C:20]([C:21]([N:22]([C:23](=[O:24])[C@:25]([O:26][H:77])([C:27]([C:28]([H:78])([H:79])[H:80])([C:29]([H:81])([H:82])[H:83])[C:30]([O:31][P:32](=[O:33])([O:34][H:84])[O:35][P:36](=[O:37])([O:38][H:85])[O:39][C:40]([C@@:41]1([H:86])[O:42][C@:43]([N:44]2:[C:45]([H:87]):[N:46]:[C:47]3:[C:48]([N:49]([H:88])[H:89]):[N:50]:[C:51]([H:90]):[N:52]:[C:53]:2:3)([H:91])[C@@:54]([O:55][H:92])([H:93])[C@@:56]1([O:57][P:58](=[O:59])([O:60][H:94])[O:61][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]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([H])([H])O[C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([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])([H:118])[H:119])([H:116])[H:117])([H:114])[H:115])([H:112])[H:113])=[O:13].[H][S:14][C:15]([C:16]([N:17]([C:18](=[O:19])[C:20]([C:21]([N:22]([C:23](=[O:24])[C@:25]([O:26][H:77])([C:27]([C:28]([H:78])([H:79])[H:80])([C:29]([H:81])([H:82])[H:83])[C:30]([O:31][P:32](=[O:33])([O:34][H:84])[O:35][P:36](=[O:37])([O:38][H:85])[O:39][C:40]([C@@:41]1([H:86])[O:42][C@:43]([N:44]2:[C:45]([H:87]):[N:46]:[C:47]3:[C:48]([N:49]([H:88])[H:89]):[N:50]:[C:51]([H:90]):[N:52]:[C:53]:2:3)([H:91])[C@@:54]([O:55][H:92])([H:93])[C@@:56]1([O:57][P:58](=[O:59])([O:60][H:94])[O:61][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-F81 - Elemental Balance
| O | 1 |
| C | 14 |
| H | 30 |
EVODEX.1-M222 - Mass Difference
214.2298
EVODEX.1-E649 - Reaction Operator E
[#6:17]-[#6:18](=[#8:19])-[#16:20]-[#6:21]>>[#6:17]-[#6:18](=[#8:19])-[#8]-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[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])(-[H])-[H].[#16:20](-[#6:21])-[H]
EVODEX.1-C335 - Reaction Operator C
[#6:18]-[#16:20]>>[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](-[H])(-[H])-[#8]-[#6:18].[H]-[#16:20]
EVODEX.1-N388 - Reaction Operator N
[#6:17]-[#6:18](=[#8:19])-[#16:20]-[#6:21]>>[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](-[H])(-[H])-[#8]-[#6:18](-[#6:17])=[#8:19].[H]-[#16:20]-[#6:21]
EVODEX.1-Em6 - Reaction Operator Em
[#6:36]-[#6:37](=[#8:38])-[#16:39]-[#6:40]>>[#6]-[#8]-[#6:37](-[#6:36])=[#8:38].[H]-[#16:39]-[#6:40]
EVODEX.1-Nm7 - Reaction Operator Nm
[#6:36]-[#6:37](=[#8:38])-[#16:39]-[#6:40]>>[#6]-[#8]-[#6:37](-[#6:36])=[#8:38].[H]-[#16:39]-[#6:40]
Source Full Reactions
EVODEX.1-R2561
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12](=[O:13])[S:14][C:15]([C:16]([N:17]([C:18](=[O:19])[C:20]([C:21]([N:22]([C:23](=[O:24])[C@:25]([O:26][H:77])([C:27]([C:28]([H:78])([H:79])[H:80])([C:29]([H:81])([H:82])[H:83])[C:30]([O:31][P:32](=[O:33])([O:34][H:84])[O:35][P:36](=[O:37])([O:38][H:85])[O:39][C:40]([C@@:41]1([H:86])[O:42][C@:43]([N:44]2:[C:45]([H:87]):[N:46]:[C:47]3:[C:48]([N:49]([H:88])[H:89]):[N:50]:[C:51]([H:90]):[N:52]:[C:53]:2:3)([H:91])[C@@:54]([O:55][H:92])([H:93])[C@@:56]1([O:57][P:58](=[O:59])([O:60][H:94])[O:61][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][O:76][C:75]([C:74]([C:73]([C:72]([C:71]([C:70]([C:69]([C:68]([C:67]([C:66]([C:65]([C:64]([C:63]([C:62]([H:162])([H:163])[H:164])([H:160])[H:161])([H:158])[H:159])([H:156])[H:157])([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]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12](=[O:13])[O:76][C:75]([C:74]([C:73]([C:72]([C:71]([C:70]([C:69]([C:68]([C:67]([C:66]([C:65]([C:64]([C:63]([C:62]([H:162])([H:163])[H:164])([H:160])[H:161])([H:158])[H:159])([H:156])[H:157])([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])([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][S:14][C:15]([C:16]([N:17]([C:18](=[O:19])[C:20]([C:21]([N:22]([C:23](=[O:24])[C@:25]([O:26][H:77])([C:27]([C:28]([H:78])([H:79])[H:80])([C:29]([H:81])([H:82])[H:83])[C:30]([O:31][P:32](=[O:33])([O:34][H:84])[O:35][P:36](=[O:37])([O:38][H:85])[O:39][C:40]([C@@:41]1([H:86])[O:42][C@:43]([N:44]2:[C:45]([H:87]):[N:46]:[C:47]3:[C:48]([N:49]([H:88])[H:89]):[N:50]:[C:51]([H:90]):[N:52]:[C:53]:2:3)([H:91])[C@@:54]([O:55][H:92])([H:93])[C@@:56]1([O:57][P:58](=[O:59])([O:60][H:94])[O:61][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]