SMIRKS
[C:49]([O:50][C:51]1:[C:52]([H:128]):[C:53]([C:54]([O:55][C:56]([C:57]([C:58]([H:129])([H:130])[H:131])=[C:59]([C:60]([C:61]([C:62]([C:63]([H:132])([H:133])[H:134])=[C:64]([C:65]([O:66][P:67](=[O:68])([O:69][H:135])[O:70][P:71](=[O:72])([O:73][H:136])[O:74][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]):[C:75]([H:150]):[C:76]([O:77][C:78]([H:151])([H:152])[H:153]):[C:79]:1[O:80][C:81]([H:154])([H:155])[H:156])([H:157])([H:158])[H:159]>>[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:65]([C:64](=[C:62]([C:61]([C:60]([C:59](=[C:57]([C:56]([O:55][C:54]([C:53]1:[C:52]([H:128]):[C:51]([O:50][C:49]([H:157])([H:158])[H:159]):[C:79]([O:80][C:81]([H:154])([H:155])[H:156]):[C:76]([O:77][C:78]([H:151])([H:152])[H:153]):[C:75]:1[H:150])([H:148])[H:149])([H:146])[H:147])[C:58]([H:129])([H:130])[H:131])[H:145])([H:143])[H:144])([H:141])[H:142])[C:63]([H:132])([H:133])[H:134])[H:140])([H:138])[H:139])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:66][P:67](=[O:68])([O:69][H:135])[O:70][P:71](=[O:72])([O:73][H:136])[O:74][H:137]
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-R3398
[H][S:15][C:14]([C@@:13]([C:11]([N:10]([C@:9]([C:7]([N:6]([C@@:5]([C:4]([C:2]([C:1]([H:125])([H:126])[H:127])([C:3]([H:82])([H:83])[H:84])[H:124])([H:122])[H:123])([C:40](=[O:41])[N:42]([C@@:43]([C:44]([O:45][H:115])([H:116])[H:117])([C:46](=[O:47])[O:48][H:118])[H:119])[H:120])[H:121])[H:114])=[O:8])([C:37]([C:38]([H:106])([H:107])[H:108])([C:39]([H:109])([H:110])[H:111])[H:112])[H:113])[H:105])=[O:12])([N:16]([C:17](=[O:18])[C:19]([N:20]([S:21](=[O:22])(=[O:23])[C:24]1:[C:25]([H:88]):[C:26]([H:89]):[C:27]([H:90]):[C:28]2:[C:29]([N:30]([C:31]([H:91])([H:92])[H:93])[C:32]([H:94])([H:95])[H:96]):[C:33]([H:97]):[C:34]([H:98]):[C:35]([H:99]):[C:36]:1:2)[H:100])([H:101])[H:102])[H:103])[H:104])([H:86])[H:87].[C:49]([O:50][C:51]1:[C:52]([H:128]):[C:53]([C:54]([O:55][C:56]([C:57]([C:58]([H:129])([H:130])[H:131])=[C:59]([C:60]([C:61]([C:62]([C:63]([H:132])([H:133])[H:134])=[C:64]([C:65]([O:66][P:67](=[O:68])([O:69][H:135])[O:70][P:71](=[O:72])([O:73][H:136])[O:74][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]):[C:75]([H:150]):[C:76]([O:77][C:78]([H:151])([H:152])[H:153]):[C:79]:1[O:80][C:81]([H:154])([H:155])[H:156])([H:157])([H:158])[H:159]>>[C:1]([C:2]([C:3]([H:82])([H:83])[H:84])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@@:9]([N:10]([C:11](=[O:12])[C@:13]([C:14]([S:15][C:65]([C:64](=[C:62]([C:61]([C:60]([C:59](=[C:57]([C:56]([O:55][C:54]([C:53]1:[C:52]([H:128]):[C:51]([O:50][C:49]([H:157])([H:158])[H:159]):[C:79]([O:80][C:81]([H:154])([H:155])[H:156]):[C:76]([O:77][C:78]([H:151])([H:152])[H:153]):[C:75]:1[H:150])([H:148])[H:149])([H:146])[H:147])[C:58]([H:129])([H:130])[H:131])[H:145])([H:143])[H:144])([H:141])[H:142])[C:63]([H:132])([H:133])[H:134])[H:140])([H:138])[H:139])([H:86])[H:87])([N:16]([C:17](=[O:18])[C:19]([N:20]([S:21](=[O:22])(=[O:23])[C:24]1:[C:25]([H:88]):[C:26]([H:89]):[C:27]([H:90]):[C:28]2:[C:29]([N:30]([C:31]([H:91])([H:92])[H:93])[C:32]([H:94])([H:95])[H:96]):[C:33]([H:97]):[C:34]([H:98]):[C:35]([H:99]):[C:36]:1:2)[H:100])([H:101])[H:102])[H:103])[H:104])[H:105])([C:37]([C:38]([H:106])([H:107])[H:108])([C:39]([H:109])([H:110])[H:111])[H:112])[H:113])[H:114])([C:40](=[O:41])[N:42]([C@@:43]([C:44]([O:45][H:115])([H:116])[H:117])([C:46](=[O:47])[O:48][H:118])[H:119])[H:120])[H:121])([H:122])[H:123])[H:124])([H:125])([H:126])[H:127].[H][O:66][P:67](=[O:68])([O:69][H:135])[O:70][P:71](=[O:72])([O:73][H:136])[O:74][H:137]