SMIRKS
[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:54]([C:53]([C:52]([H:179])([H:180])[H:181])([H:177])[H:178])=[O:55])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1>>[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[C:54]([C:53]([C:52]([H:179])([H:180])[H:181])([H:177])[H:178])=[O:55])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1
Derived Operators
EVODEX.1-F50 - Elemental Balance
| O | 1 |
| C | 2 |
| H | 2 |
EVODEX.1-M16 - Mass Difference
42.01056
EVODEX.1-E562 - Reaction Operator E
[#6:53]-[#6:54](=[#8:55])-[#16]-[#6](-[#6](-[#7](-[#6](=[#8])-[#6](-[#6](-[#7](-[#6](=[#8])-[#6@](-[#8]-[H])(-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])(-[H])-[H])(-[H])-[H]>>[#6](-[#6](=[#8])-[#16]-[#6](-[#6](-[#7](-[#6](=[#8])-[#6](-[#6](-[#7](-[#6](=[#8])-[#6@](-[#8]-[H])(-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#6:54](-[#6:53])=[#8:55])(-[H])-[H]
EVODEX.1-C300 - Reaction Operator C
[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:54])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2>>[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6](=[#8])-[#6](-[H])(-[H])-[#6:54])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2
EVODEX.1-N343 - Reaction Operator N
[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:54](-[#6:53])=[#8:55])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2>>[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6](=[#8])-[#6](-[H])(-[H])-[#6:54](-[#6:53])=[#8:55])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2
EVODEX.1-Em442 - Reaction Operator Em
[#6]-[#16]-[#6:54](-[#6:53])=[#8:55]>>[#6]-[#6](-[H])(-[H])-[#6:54](-[#6:53])=[#8:55]
EVODEX.1-Nm395 - Reaction Operator Nm
[#6]-[#16]-[#6:54](-[#6:53])=[#8:55]>>[#6]-[#6](-[H])(-[H])-[#6:54](-[#6:53])=[#8:55]
Source Full Reactions
EVODEX.1-R2848
[H][C:1]([C:2](=[O:3])[S:4][C:5]([C:6]([N:7]([C:8](=[O:9])[C:10]([C:11]([N:12]([C:13](=[O:14])[C@:15]([O:16][H:104])([C:17]([C:18]([H:105])([H:106])[H:107])([C:19]([H:108])([H:109])[H:110])[C:20]([O:21][P:22](=[O:23])([O:24][H:111])[O:25][P:26](=[O:27])([O:28][H:112])[O:29][C:30]([C@@:31]1([H:113])[O:32][C@:33]([N:34]2:[C:35]([H:114]):[N:36]:[C:37]3:[C:38]([N:39]([H:115])[H:116]):[N:40]:[C:41]([H:117]):[N:42]:[C:43]:2:3)([H:118])[C@@:44]([O:45][H:119])([H:120])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:121])[O:51][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].[C:52]([C:53]([C:54](=[O:55])[S:56][C:57]([C:58]([N:59]([C:60](=[O:61])[C:62]([C:63]([N:64]([C:65](=[O:66])[C@:67]([O:68][H:142])([C:69]([C:70]([H:143])([H:144])[H:145])([C:71]([H:146])([H:147])[H:148])[C:72]([O:73][P:74](=[O:75])([O:76][H:149])[O:77][P:78](=[O:79])([O:80][H:150])[O:81][C:82]([C@@:83]1([H:151])[O:84][C@:85]([N:86]2:[C:87]([H:152]):[N:88]:[C:89]3:[C:90]([N:91]([H:153])[H:154]):[N:92]:[C:93]([H:155]):[N:94]:[C:95]:2:3)([H:156])[C@@:96]([O:97][H:157])([H:158])[C@@:98]1([O:99][P:100](=[O:101])([O:102][H:159])[O:103][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]>>[C:1]([C:2](=[O:3])[S:4][C:5]([C:6]([N:7]([C:8](=[O:9])[C:10]([C:11]([N:12]([C:13](=[O:14])[C@:15]([O:16][H:104])([C:17]([C:18]([H:105])([H:106])[H:107])([C:19]([H:108])([H:109])[H:110])[C:20]([O:21][P:22](=[O:23])([O:24][H:111])[O:25][P:26](=[O:27])([O:28][H:112])[O:29][C:30]([C@@:31]1([H:113])[O:32][C@:33]([N:34]2:[C:35]([H:114]):[N:36]:[C:37]3:[C:38]([N:39]([H:115])[H:116]):[N:40]:[C:41]([H:117]):[N:42]:[C:43]:2:3)([H:118])[C@@:44]([O:45][H:119])([H:120])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:121])[O:51][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])([C:54]([C:53]([C:52]([H:179])([H:180])[H:181])([H:177])[H:178])=[O:55])([H:139])[H:140].[H][S:56][C:57]([C:58]([N:59]([C:60](=[O:61])[C:62]([C:63]([N:64]([C:65](=[O:66])[C@:67]([O:68][H:142])([C:69]([C:70]([H:143])([H:144])[H:145])([C:71]([H:146])([H:147])[H:148])[C:72]([O:73][P:74](=[O:75])([O:76][H:149])[O:77][P:78](=[O:79])([O:80][H:150])[O:81][C:82]([C@@:83]1([H:151])[O:84][C@:85]([N:86]2:[C:87]([H:152]):[N:88]:[C:89]3:[C:90]([N:91]([H:153])[H:154]):[N:92]:[C:93]([H:155]):[N:94]:[C:95]:2:3)([H:156])[C@@:96]([O:97][H:157])([H:158])[C@@:98]1([O:99][P:100](=[O:101])([O:102][H:159])[O:103][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]