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:59]([C:58]([C:57]([C:56]([C:55]([C:54]([C:53]([C:52]([H:194])([H:195])[H:196])([H:192])[H:193])([H:190])[H:191])([H:188])[H:189])([H:186])[H:187])([H:184])[H:185])([H:182])[H:183])=[O:60])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:59]([C:58]([C:57]([C:56]([C:55]([C:54]([C:53]([C:52]([H:194])([H:195])[H:196])([H:192])[H:193])([H:190])[H:191])([H:188])[H:189])([H:186])[H:187])([H:184])[H:185])([H:182])[H:183])=[O:60])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-R2090
[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:109])([C:17]([C:18]([H:110])([H:111])[H:112])([C:19]([H:113])([H:114])[H:115])[C:20]([O:21][P:22](=[O:23])([O:24][H:116])[O:25][P:26](=[O:27])([O:28][H:117])[O:29][C:30]([C@@:31]1([H:118])[O:32][C@:33]([N:34]2:[C:35]([H:119]):[N:36]:[C:37]3:[C:38]([N:39]([H:120])[H:121]):[N:40]:[C:41]([H:122]):[N:42]:[C:43]:2:3)([H:123])[C@@:44]([O:45][H:124])([H:125])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:126])[O:51][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].[C:52]([C:53]([C:54]([C:55]([C:56]([C:57]([C:58]([C:59](=[O:60])[S:61][C:62]([C:63]([N:64]([C:65](=[O:66])[C:67]([C:68]([N:69]([C:70](=[O:71])[C@:72]([O:73][H:147])([C:74]([C:75]([H:148])([H:149])[H:150])([C:76]([H:151])([H:152])[H:153])[C:77]([O:78][P:79](=[O:80])([O:81][H:154])[O:82][P:83](=[O:84])([O:85][H:155])[O:86][C:87]([C@@:88]1([H:156])[O:89][C@:90]([N:91]2:[C:92]([H:157]):[N:93]:[C:94]3:[C:95]([N:96]([H:158])[H:159]):[N:97]:[C:98]([H:160]):[N:99]:[C:100]:2:3)([H:161])[C@@:101]([O:102][H:162])([H:163])[C@@:103]1([O:104][P:105](=[O:106])([O:107][H:164])[O:108][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]>>[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:109])([C:17]([C:18]([H:110])([H:111])[H:112])([C:19]([H:113])([H:114])[H:115])[C:20]([O:21][P:22](=[O:23])([O:24][H:116])[O:25][P:26](=[O:27])([O:28][H:117])[O:29][C:30]([C@@:31]1([H:118])[O:32][C@:33]([N:34]2:[C:35]([H:119]):[N:36]:[C:37]3:[C:38]([N:39]([H:120])[H:121]):[N:40]:[C:41]([H:122]):[N:42]:[C:43]:2:3)([H:123])[C@@:44]([O:45][H:124])([H:125])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:126])[O:51][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])([C:59]([C:58]([C:57]([C:56]([C:55]([C:54]([C:53]([C:52]([H:194])([H:195])[H:196])([H:192])[H:193])([H:190])[H:191])([H:188])[H:189])([H:186])[H:187])([H:184])[H:185])([H:182])[H:183])=[O:60])([H:144])[H:145].[H][S:61][C:62]([C:63]([N:64]([C:65](=[O:66])[C:67]([C:68]([N:69]([C:70](=[O:71])[C@:72]([O:73][H:147])([C:74]([C:75]([H:148])([H:149])[H:150])([C:76]([H:151])([H:152])[H:153])[C:77]([O:78][P:79](=[O:80])([O:81][H:154])[O:82][P:83](=[O:84])([O:85][H:155])[O:86][C:87]([C@@:88]1([H:156])[O:89][C@:90]([N:91]2:[C:92]([H:157]):[N:93]:[C:94]3:[C:95]([N:96]([H:158])[H:159]):[N:97]:[C:98]([H:160]):[N:99]:[C:100]:2:3)([H:161])[C@@:101]([O:102][H:162])([H:163])[C@@:103]1([O:104][P:105](=[O:106])([O:107][H:164])[O:108][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]