SMIRKS
[H]C(=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])=C([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:68][C:69]([C:70](=[O:71])[C:72]([O:73][P:74](=[O:75])([O:76][H:114])[O:77][H:115])([H:116])[H:117])([H:118])[H:119]>>[H][O:68][C:69]([C:70](=[O:71])[C:72]([O:73][P:74](=[O:75])([O:76][H:114])[O:77][H:115])([H:116])[H:117])([H:118])[H:119]
Derived Operators
EVODEX.1-F13 - Elemental Balance
| C | -18 |
| O | -1 |
| H | -30 |
EVODEX.1-M191 - Mass Difference
-262.2298
EVODEX.1-E451 - Reaction Operator E
[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#6](-[#6](-[#6](=[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#8])-[#8:20]-[#6:21])(-[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]>>[#8:20](-[#6:21])-[H]
EVODEX.1-C323 - Reaction Operator C
[H]-[#6](=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:20]>>[H]-[#8:20]
EVODEX.1-N374 - Reaction Operator N
[H]-[#6](=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:20]-[#6:21]>>[H]-[#8:20]-[#6:21]
Source Full Reactions
EVODEX.1-R2339
[H][S:48][C:47]([C:46]([N:45]([C:43]([C:42]([C:41]([N:40]([C:38]([C@@:36]([C:2]([C:1]([H:111])([H:112])[H:113])([C:3]([H:78])([H:79])[H:80])[C:4]([O:5][P:6](=[O:7])([O:8][H:81])[O:9][P:10](=[O:11])([O:12][H:82])[O:13][C:14]([C@@:15]1([H:83])[O:16][C@:17]([N:18]2:[C:19]([H:84]):[N:20]:[C:21]3:[C:22]([N:23]([H:85])[H:86]):[N:24]:[C:25]([H:87]):[N:26]:[C:27]:2:3)([H:88])[C@@:28]([O:29][H:89])([H:90])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:91])[O:35][H:92])[H:93])([H:94])[H:95])([H:96])[H:97])([O:37][H:98])[H:110])=[O:39])[H:109])([H:107])[H:108])([H:105])[H:106])=[O:44])[H:104])([H:102])[H:103])([H:100])[H:101].[C:49]([C:50]([C:51]([C:52]([C:53]([C:54](=[C:55]([C:56]([C:57](=[C:58]([C:59]([C:60]([C:61]([C:62]([C:63]([C:64]([C:65]([C:66](=[O:67])[O:68][C:69]([C:70](=[O:71])[C:72]([O:73][P:74](=[O:75])([O:76][H:114])[O:77][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]>>[C:1]([C:2]([C:3]([H:78])([H:79])[H:80])([C:4]([O:5][P:6](=[O:7])([O:8][H:81])[O:9][P:10](=[O:11])([O:12][H:82])[O:13][C:14]([C@@:15]1([H:83])[O:16][C@:17]([N:18]2:[C:19]([H:84]):[N:20]:[C:21]3:[C:22]([N:23]([H:85])[H:86]):[N:24]:[C:25]([H:87]):[N:26]:[C:27]:2:3)([H:88])[C@@:28]([O:29][H:89])([H:90])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:91])[O:35][H:92])[H:93])([H:94])[H:95])([H:96])[H:97])[C@@:36]([O:37][H:98])([C:38](=[O:39])[N:40]([C:41]([C:42]([C:43](=[O:44])[N:45]([C:46]([C:47]([S:48][C:66]([C:65]([C:64]([C:63]([C:62]([C:61]([C:60]([C:59]([C:58](=[C:57]([C:56]([C:55](=[C:54]([C:53]([C:52]([C:51]([C:50]([C:49]([H:148])([H:149])[H:150])([H:146])[H:147])([H:144])[H:145])([H:142])[H:143])([H:140])[H:141])[H:139])[H:138])([H:136])[H:137])[H:135])[H:134])([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])=[O:67])([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][O:68][C:69]([C:70](=[O:71])[C:72]([O:73][P:74](=[O:75])([O:76][H:114])[O:77][H:115])([H:116])[H:117])([H:118])[H:119]