SMIRKS
[H][O:17][C:16]([C:15]([C:14]([C:13]([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:172])([H:173])[H:174])([H:170])[H:171])([H:168])[H:169])([H:166])[H:167])([H:164])[H:165])([H:162])[H:163])[H:161])[H:160])([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]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(=O)[O:17][C:16]([C:15]([C:14]([C:13]([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:172])([H:173])[H:174])([H:170])[H:171])([H:168])[H:169])([H:166])[H:167])([H:164])[H:165])([H:162])[H:163])[H:161])[H:160])([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]
Derived Operators
EVODEX.1-F28 - Elemental Balance
| C | 14 |
| O | 1 |
| H | 26 |
EVODEX.1-M96 - Mass Difference
210.19848
EVODEX.1-E469 - Reaction Operator E
[#6:27]-[#8:28]-[H]>>[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#8])-[#8:28]-[#6:27])(-[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]
EVODEX.1-C330 - Reaction Operator C
[H]-[#8:28]>>[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](=[#8])-[#8:28]
EVODEX.1-N383 - Reaction Operator N
[H]-[#8:28]-[#6:27]>>[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](=[#8])-[#8:28]-[#6:27]
Source Full Reactions
EVODEX.1-R2569
[C:18]([C:19]([C:20]([C:21]([C:22]([C:23]([C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31](=[O:32])[S:33][C:34]([C:35]([N:36]([C:37](=[O:38])[C:39]([C:40]([N:41]([C:42](=[O:43])[C@:44]([O:45][H:81])([C:46]([C:47]([H:82])([H:83])[H:84])([C:48]([H:85])([H:86])[H:87])[C:49]([O:50][P:51](=[O:52])([O:53][H:88])[O:54][P:55](=[O:56])([O:57][H:89])[O:58][C:59]([C@@:60]1([H:90])[O:61][C@:62]([N:63]2:[C:64]([H:91]):[N:65]:[C:66]3:[C:67]([N:68]([H:92])[H:93]):[N:69]:[C:70]([H:94]):[N:71]:[C:72]:2:3)([H:95])[C@@:73]([O:74][H:96])([H:97])[C@@:75]1([O:76][P:77](=[O:78])([O:79][H:98])[O:80][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:137])([H:138])[H:139])([H:140])([H:141])[H:142].[H][O:17][C:16]([C:15]([C:14]([C:13]([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:172])([H:173])[H:174])([H:170])[H:171])([H:168])[H:169])([H:166])[H:167])([H:164])[H:165])([H:162])[H:163])[H:161])[H:160])([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]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7](=[C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([O:17][C:31]([C:30]([C:29]([C:28]([C:27]([C:26]([C:25]([C:24]([C:23]([C:22]([C:21]([C:20]([C:19]([C:18]([H:140])([H:141])[H:142])([H:138])[H:139])([H:136])[H:137])([H:134])[H:135])([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])=[O:32])([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])[H:159])[H:160])[H:161])([H:162])[H:163])([H:164])[H:165])([H:166])[H:167])([H:168])[H:169])([H:170])[H:171])([H:172])([H:173])[H:174].[H][S:33][C:34]([C:35]([N:36]([C:37](=[O:38])[C:39]([C:40]([N:41]([C:42](=[O:43])[C@:44]([O:45][H:81])([C:46]([C:47]([H:82])([H:83])[H:84])([C:48]([H:85])([H:86])[H:87])[C:49]([O:50][P:51](=[O:52])([O:53][H:88])[O:54][P:55](=[O:56])([O:57][H:89])[O:58][C:59]([C@@:60]1([H:90])[O:61][C@:62]([N:63]2:[C:64]([H:91]):[N:65]:[C:66]3:[C:67]([N:68]([H:92])[H:93]):[N:69]:[C:70]([H:94]):[N:71]:[C:72]:2:3)([H:95])[C@@:73]([O:74][H:96])([H:97])[C@@:75]1([O:76][P:77](=[O:78])([O:79][H:98])[O:80][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]