SMIRKS
[C:1]([C:2](=[C:3]([C:4]([O:5][P:6](=[O:7])([O:8][H:78])[O:9][P:10](=[O:11])([O:12][H:79])[O:13][H:80])([H:81])[H:82])[H:83])[C:14]([C:15]([C:16](=[C:17]([C:18]([H:84])([H:85])[H:86])[C:19]([O:20][C:21]1:[C:22]([H:87]):[C:23]([H:88]):[C:24]([H:89]):[C:25]([C:26]([C:27]([H:90])([H:91])[H:92])([C:28]([H:93])([H:94])[H:95])[H:96]):[C:29]:1[H:97])([H:98])[H:99])[H:100])([H:101])[H:102])([H:103])[H:104])([H:105])([H:106])[H:107]>>[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])S(=O)(=O)C1:C([H]):C([H]):C([H]):C2:C(N(C([H])([H])[H])C([H])([H])[H]):C([H]):C([H]):C([H]):C:1:2)C([H])([H])S[C:4]([C:3](=[C:2]([C:1]([H:105])([H:106])[H:107])[C:14]([C:15]([C:16](=[C:17]([C:18]([H:84])([H:85])[H:86])[C:19]([O:20][C:21]1:[C:22]([H:87]):[C:23]([H:88]):[C:24]([H:89]):[C:25]([C:26]([C:27]([H:90])([H:91])[H:92])([C:28]([H:93])([H:94])[H:95])[H:96]):[C:29]:1[H:97])([H:98])[H:99])[H:100])([H:101])[H:102])([H:103])[H:104])[H:83])([H:81])[H:82])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H].[H][O:5][P:6](=[O:7])([O:8][H:78])[O:9][P:10](=[O:11])([O:12][H:79])[O:13][H:80]
Derived Operators
EVODEX.1-F423 - Elemental Balance
| O | 9 |
| C | 31 |
| S | 2 |
| N | 6 |
| H | 46 |
EVODEX.1-M411 - Mass Difference
710.27708
EVODEX.1-E1232 - Reaction Operator E
[#15:54]-[#8:57]-[#6:58](-[#6:59])(-[H:144])-[H:145]>>[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#6@](-[#7](-[#6](=[#8])-[#6@@](-[#7](-[#6](=[#8])-[#6@](-[#6](-[#16]-[#6:58](-[#6:59])(-[H:144])-[H:145])(-[H])-[H])(-[#7](-[#6](=[#8])-[#6](-[#7](-[#16](=[#8])(=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]2:[#6](-[#7](-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1:2)-[H])(-[H])-[H])-[H])-[H])-[H])(-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])-[H])-[H])(-[#6](=[#8])-[#7](-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H])-[H])(-[H])-[H])-[H])(-[H])(-[H])-[H].[#15:54]-[#8:57]-[H]
EVODEX.1-C409 - Reaction Operator C
[#6:65]-[#8:66]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#16](=[#8])(=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]2:[#6](-[#7](-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1:2)-[#6](-[H])(-[H])-[#16]-[#6:65])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#8]-[H].[H]-[#8:66]
EVODEX.1-N490 - Reaction Operator N
[#6:64]-[#6:65](-[#8:66]-[#15:67])(-[H:134])-[H:135]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#16](=[#8])(=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]2:[#6](-[#7](-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1:2)-[#6](-[H])(-[H])-[#16]-[#6:65](-[#6:64])(-[H:134])-[H:135])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#8]-[H].[H]-[#8:66]-[#15:67]
EVODEX.1-Em525 - Reaction Operator Em
[#6:64]-[#6:65]-[#8:66]-[#15:67]>>[#6]-[#16]-[#6:65]-[#6:64].[H]-[#8:66]-[#15:67]
EVODEX.1-Nm476 - Reaction Operator Nm
[#6:64]-[#6:65]-[#8:66]-[#15:67]>>[#6]-[#16]-[#6:65]-[#6:64].[H]-[#8:66]-[#15:67]
Source Full Reactions
EVODEX.1-R3400
[C:1]([C:2](=[C:3]([C:4]([O:5][P:6](=[O:7])([O:8][H:78])[O:9][P:10](=[O:11])([O:12][H:79])[O:13][H:80])([H:81])[H:82])[H:83])[C:14]([C:15]([C:16](=[C:17]([C:18]([H:84])([H:85])[H:86])[C:19]([O:20][C:21]1:[C:22]([H:87]):[C:23]([H:88]):[C:24]([H:89]):[C:25]([C:26]([C:27]([H:90])([H:91])[H:92])([C:28]([H:93])([H:94])[H:95])[H:96]):[C:29]:1[H:97])([H:98])[H:99])[H:100])([H:101])[H:102])([H:103])[H:104])([H:105])([H:106])[H:107].[H][S:44][C:43]([C@@:42]([C:40]([N:39]([C@:38]([C:36]([N:35]([C@@:34]([C:33]([C:31]([C:30]([H:151])([H:152])[H:153])([C:32]([H:108])([H:109])[H:110])[H:150])([H:148])[H:149])([C:69](=[O:70])[N:71]([C@@:72]([C:73]([O:74][H:141])([H:142])[H:143])([C:75](=[O:76])[O:77][H:144])[H:145])[H:146])[H:147])[H:140])=[O:37])([C:66]([C:67]([H:132])([H:133])[H:134])([C:68]([H:135])([H:136])[H:137])[H:138])[H:139])[H:131])=[O:41])([N:45]([C:46](=[O:47])[C:48]([N:49]([S:50](=[O:51])(=[O:52])[C:53]1:[C:54]([H:114]):[C:55]([H:115]):[C:56]([H:116]):[C:57]2:[C:58]([N:59]([C:60]([H:117])([H:118])[H:119])[C:61]([H:120])([H:121])[H:122]):[C:62]([H:123]):[C:63]([H:124]):[C:64]([H:125]):[C:65]:1:2)[H:126])([H:127])[H:128])[H:129])[H:130])([H:112])[H:113]>>[C:1]([C:2](=[C:3]([C:4]([S:44][C:43]([C@@:42]([C:40]([N:39]([C@:38]([C:36]([N:35]([C@@:34]([C:33]([C:31]([C:30]([H:151])([H:152])[H:153])([C:32]([H:108])([H:109])[H:110])[H:150])([H:148])[H:149])([C:69](=[O:70])[N:71]([C@@:72]([C:73]([O:74][H:141])([H:142])[H:143])([C:75](=[O:76])[O:77][H:144])[H:145])[H:146])[H:147])[H:140])=[O:37])([C:66]([C:67]([H:132])([H:133])[H:134])([C:68]([H:135])([H:136])[H:137])[H:138])[H:139])[H:131])=[O:41])([N:45]([C:46](=[O:47])[C:48]([N:49]([S:50](=[O:51])(=[O:52])[C:53]1:[C:54]([H:114]):[C:55]([H:115]):[C:56]([H:116]):[C:57]2:[C:58]([N:59]([C:60]([H:117])([H:118])[H:119])[C:61]([H:120])([H:121])[H:122]):[C:62]([H:123]):[C:63]([H:124]):[C:64]([H:125]):[C:65]:1:2)[H:126])([H:127])[H:128])[H:129])[H:130])([H:112])[H:113])([H:81])[H:82])[H:83])[C:14]([C:15]([C:16](=[C:17]([C:18]([H:84])([H:85])[H:86])[C:19]([O:20][C:21]1:[C:22]([H:87]):[C:23]([H:88]):[C:24]([H:89]):[C:25]([C:26]([C:27]([H:90])([H:91])[H:92])([C:28]([H:93])([H:94])[H:95])[H:96]):[C:29]:1[H:97])([H:98])[H:99])[H:100])([H:101])[H:102])([H:103])[H:104])([H:105])([H:106])[H:107].[H][O:5][P:6](=[O:7])([O:8][H:78])[O:9][P:10](=[O:11])([O:12][H:79])[O:13][H:80]