SMIRKS
[C:22]([C:23]([C:24]([C:25]([C:26]([C:27]([C@@:28]([O:29][H:132])([C:30]([C:31](=[C:32]([C:33]([C:34]([C:35]([C:36]([C:37]([C:38]([C:39]([C:40](=[O:41])[S:42][C:43]([C:44]([N:45]([C:46](=[O:47])[C:48]([C:49]([N:50]([C:51](=[O:52])[C@:53]([O:54][H:133])([C:55]([C:56]([H:134])([H:135])[H:136])([C:57]([H:137])([H:138])[H:139])[C:58]([O:59][P:60](=[O:61])([O:62][H:140])[O:63][P:64](=[O:65])([O:66][H:141])[O:67][C:68]([C@@:69]1([H:142])[O:70][C@:71]([N:72]2:[C:73]([H:143]):[N:74]:[C:75]3:[C:76]([N:77]([H:144])[H:145]):[N:78]:[C:79]([H:146]):[N:80]:[C:81]:2:3)([H:147])[C@@:82]([O:83][H:148])([H:149])[C@@:84]1([O:85][P:86](=[O:87])([O:88][H:150])[O:89][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:175])([H:176])[H:177])([H:178])[H:179])([H:180])[H:181])[H:182])[H:183])([H:184])[H:185])[H:186])([H:187])[H:188])([H:189])[H:190])([H:191])[H:192])([H:193])[H:194])([H:195])[H:196])([H:197])([H:198])[H:199]>>[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])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])O[C:40]([C:39]([C:38]([C:37]([C:36]([C:35]([C:34]([C:33]([C:32](=[C:31]([C:30]([C@@:28]([C:27]([C:26]([C:25]([C:24]([C:23]([C:22]([H:197])([H:198])[H:199])([H:195])[H:196])([H:193])[H:194])([H:191])[H:192])([H:189])[H:190])([H:187])[H:188])([O:29][H:132])[H:186])([H:184])[H:185])[H:183])[H:182])([H:180])[H:181])([H:178])[H:179])([H:176])[H:177])([H:174])[H:175])([H:172])[H:173])([H:170])[H:171])([H:168])[H:169])=[O:41].[H][S:42][C:43]([C:44]([N:45]([C:46](=[O:47])[C:48]([C:49]([N:50]([C:51](=[O:52])[C@:53]([O:54][H:133])([C:55]([C:56]([H:134])([H:135])[H:136])([C:57]([H:137])([H:138])[H:139])[C:58]([O:59][P:60](=[O:61])([O:62][H:140])[O:63][P:64](=[O:65])([O:66][H:141])[O:67][C:68]([C@@:69]1([H:142])[O:70][C@:71]([N:72]2:[C:73]([H:143]):[N:74]:[C:75]3:[C:76]([N:77]([H:144])[H:145]):[N:78]:[C:79]([H:146]):[N:80]:[C:81]:2:3)([H:147])[C@@:82]([O:83][H:148])([H:149])[C@@:84]1([O:85][P:86](=[O:87])([O:88][H:150])[O:89][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]
Derived Operators
EVODEX.1-F362 - Elemental Balance
| O | 1 |
| C | 20 |
| H | 42 |
EVODEX.1-M364 - Mass Difference
298.32376
EVODEX.1-E1154 - 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](-[#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])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H].[#16:20](-[#6:21])-[H]
EVODEX.1-C350 - Reaction Operator C
[#6:40]-[#16:42]>>[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])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8]-[#6:40].[H]-[#16:42]
EVODEX.1-N403 - Reaction Operator N
[#6:39]-[#6:40](=[#8:41])-[#16:42]-[#6:43]>>[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])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8]-[#6:40](-[#6:39])=[#8:41].[H]-[#16:42]-[#6:43]
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-R2658
[H][O:21][C:20]([C:19]([C:18]([C: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:129])([H:130])[H:131])([H:127])[H:128])([H:125])[H:126])([H:123])[H:124])([H:121])[H:122])([H:119])[H:120])([H:117])[H:118])([H:115])[H:116])([H:113])[H:114])([H:111])[H:112])([H:109])[H:110])([H:107])[H:108])([H:105])[H:106])([H:103])[H:104])([H:101])[H:102])([H:99])[H:100])([H:97])[H:98])([H:95])[H:96])([H:93])[H:94])([H:91])[H:92].[C:22]([C:23]([C:24]([C:25]([C:26]([C:27]([C@@:28]([O:29][H:132])([C:30]([C:31](=[C:32]([C:33]([C:34]([C:35]([C:36]([C:37]([C:38]([C:39]([C:40](=[O:41])[S:42][C:43]([C:44]([N:45]([C:46](=[O:47])[C:48]([C:49]([N:50]([C:51](=[O:52])[C@:53]([O:54][H:133])([C:55]([C:56]([H:134])([H:135])[H:136])([C:57]([H:137])([H:138])[H:139])[C:58]([O:59][P:60](=[O:61])([O:62][H:140])[O:63][P:64](=[O:65])([O:66][H:141])[O:67][C:68]([C@@:69]1([H:142])[O:70][C@:71]([N:72]2:[C:73]([H:143]):[N:74]:[C:75]3:[C:76]([N:77]([H:144])[H:145]):[N:78]:[C:79]([H:146]):[N:80]:[C:81]:2:3)([H:147])[C@@:82]([O:83][H:148])([H:149])[C@@:84]1([O:85][P:86](=[O:87])([O:88][H:150])[O:89][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:175])([H:176])[H:177])([H:178])[H:179])([H:180])[H:181])[H:182])[H:183])([H:184])[H:185])[H:186])([H:187])[H:188])([H:189])[H:190])([H:191])[H:192])([H:193])[H:194])([H:195])[H:196])([H:197])([H:198])[H:199]>>[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]([C:17]([C:18]([C:19]([C:20]([O:21][C:40]([C:39]([C:38]([C:37]([C:36]([C:35]([C:34]([C:33]([C:32](=[C:31]([C:30]([C@@:28]([C:27]([C:26]([C:25]([C:24]([C:23]([C:22]([H:197])([H:198])[H:199])([H:195])[H:196])([H:193])[H:194])([H:191])[H:192])([H:189])[H:190])([H:187])[H:188])([O:29][H:132])[H:186])([H:184])[H:185])[H:183])[H:182])([H:180])[H:181])([H:178])[H:179])([H:176])[H:177])([H:174])[H:175])([H:172])[H:173])([H:170])[H:171])([H:168])[H:169])=[O:41])([H:91])[H:92])([H:93])[H:94])([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][S:42][C:43]([C:44]([N:45]([C:46](=[O:47])[C:48]([C:49]([N:50]([C:51](=[O:52])[C@:53]([O:54][H:133])([C:55]([C:56]([H:134])([H:135])[H:136])([C:57]([H:137])([H:138])[H:139])[C:58]([O:59][P:60](=[O:61])([O:62][H:140])[O:63][P:64](=[O:65])([O:66][H:141])[O:67][C:68]([C@@:69]1([H:142])[O:70][C@:71]([N:72]2:[C:73]([H:143]):[N:74]:[C:75]3:[C:76]([N:77]([H:144])[H:145]):[N:78]:[C:79]([H:146]):[N:80]:[C:81]:2:3)([H:147])[C@@:82]([O:83][H:148])([H:149])[C@@:84]1([O:85][P:86](=[O:87])([O:88][H:150])[O:89][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]