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:79])([C:27]([C:28]([H:80])([H:81])[H:82])([C:29]([H:83])([H:84])[H:85])[C:30]([O:31][P:32](=[O:33])([O:34][H:86])[O:35][P:36](=[O:37])([O:38][H:87])[O:39][C:40]([C@@:41]1([H:88])[O:42][C@:43]([N:44]2:[C:45]([H:89]):[N:46]:[C:47]3:[C:48]([N:49]([H:90])[H:91]):[N:50]:[C:51]([H:92]):[N:52]:[C:53]:2:3)([H:93])[C@@:54]([O:55][H:94])([H:95])[C@@:56]1([O:57][P:58](=[O:59])([O:60][H:96])[O:61][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:135])[H:136]>>[H]C(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:134])([H:135])[H:136])([H:132])[H:133])([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])=[O:13])=C([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])[H].[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:79])([C:27]([C:28]([H:80])([H:81])[H:82])([C:29]([H:83])([H:84])[H:85])[C:30]([O:31][P:32](=[O:33])([O:34][H:86])[O:35][P:36](=[O:37])([O:38][H:87])[O:39][C:40]([C@@:41]1([H:88])[O:42][C@:43]([N:44]2:[C:45]([H:89]):[N:46]:[C:47]3:[C:48]([N:49]([H:90])[H:91]):[N:50]:[C:51]([H:92]):[N:52]:[C:53]:2:3)([H:93])[C@@:54]([O:55][H:94])([H:95])[C@@:56]1([O:57][P:58](=[O:59])([O:60][H:96])[O:61][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]
Derived Operators
EVODEX.1-F15 - Elemental Balance
| O | 1 |
| C | 16 |
| H | 32 |
EVODEX.1-M193 - Mass Difference
240.24546
EVODEX.1-E453 - Reaction Operator E
[#6:32]-[#6:33](=[#8:34])-[#16:35]-[#6:36]>>[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#6](-[#8]-[#6:33](-[#6:32])=[#8:34])-[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])(-[H])-[H].[#16:35](-[#6:36])-[H]
EVODEX.1-C342 - Reaction Operator C
[#6:33]-[#16:35]>>[H]-[#6](-[#8]-[#6:33])=[#6](-[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])-[H].[H]-[#16:35]
EVODEX.1-N395 - Reaction Operator N
[#6:32]-[#6:33](=[#8:34])-[#16:35]-[#6:36]>>[H]-[#6](-[#8]-[#6:33](-[#6:32])=[#8:34])=[#6](-[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])-[H].[H]-[#16:35]-[#6:36]
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-R2622
[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:79])([C:27]([C:28]([H:80])([H:81])[H:82])([C:29]([H:83])([H:84])[H:85])[C:30]([O:31][P:32](=[O:33])([O:34][H:86])[O:35][P:36](=[O:37])([O:38][H:87])[O:39][C:40]([C@@:41]1([H:88])[O:42][C@:43]([N:44]2:[C:45]([H:89]):[N:46]:[C:47]3:[C:48]([N:49]([H:90])[H:91]):[N:50]:[C:51]([H:92]):[N:52]:[C:53]:2:3)([H:93])[C@@:54]([O:55][H:94])([H:95])[C@@:56]1([O:57][P:58](=[O:59])([O:60][H:96])[O:61][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:135])[H:136].[H][O:78][C:77](=[C: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:166])([H:167])[H:168])([H:164])[H:165])([H:162])[H:163])([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:139])[H:138]>>[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:78][C:77](=[C: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:166])([H:167])[H:168])([H:164])[H:165])([H:162])[H:163])([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:139])[H:138])([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][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:79])([C:27]([C:28]([H:80])([H:81])[H:82])([C:29]([H:83])([H:84])[H:85])[C:30]([O:31][P:32](=[O:33])([O:34][H:86])[O:35][P:36](=[O:37])([O:38][H:87])[O:39][C:40]([C@@:41]1([H:88])[O:42][C@:43]([N:44]2:[C:45]([H:89]):[N:46]:[C:47]3:[C:48]([N:49]([H:90])[H:91]):[N:50]:[C:51]([H:92]):[N:52]:[C:53]:2:3)([H:93])[C@@:54]([O:55][H:94])([H:95])[C@@:56]1([O:57][P:58](=[O:59])([O:60][H:96])[O:61][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]