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:61]([C:60]([C:59]([C:58]([C:57]([C:56]([C:55]([C:54]([C:53]([C:52]([H:200])([H:201])[H:202])([H:198])[H:199])([H:196])[H:197])([H:194])[H:195])([H:192])[H:193])([H:190])[H:191])([H:188])[H:189])([H:186])[H:187])([H:184])[H:185])=[O:62])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:61]([C:60]([C:59]([C:58]([C:57]([C:56]([C:55]([C:54]([C:53]([C:52]([H:200])([H:201])[H:202])([H:198])[H:199])([H:196])[H:197])([H:194])[H:195])([H:192])[H:193])([H:190])[H:191])([H:188])[H:189])([H:186])[H:187])([H:184])[H:185])=[O:62])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-R2092
[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:111])([C:17]([C:18]([H:112])([H:113])[H:114])([C:19]([H:115])([H:116])[H:117])[C:20]([O:21][P:22](=[O:23])([O:24][H:118])[O:25][P:26](=[O:27])([O:28][H:119])[O:29][C:30]([C@@:31]1([H:120])[O:32][C@:33]([N:34]2:[C:35]([H:121]):[N:36]:[C:37]3:[C:38]([N:39]([H:122])[H:123]):[N:40]:[C:41]([H:124]):[N:42]:[C:43]:2:3)([H:125])[C@@:44]([O:45][H:126])([H:127])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:128])[O:51][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].[C:52]([C:53]([C:54]([C:55]([C:56]([C:57]([C:58]([C:59]([C:60]([C:61](=[O:62])[S:63][C:64]([C:65]([N:66]([C:67](=[O:68])[C:69]([C:70]([N:71]([C:72](=[O:73])[C@:74]([O:75][H:149])([C:76]([C:77]([H:150])([H:151])[H:152])([C:78]([H:153])([H:154])[H:155])[C:79]([O:80][P:81](=[O:82])([O:83][H:156])[O:84][P:85](=[O:86])([O:87][H:157])[O:88][C:89]([C@@:90]1([H:158])[O:91][C@:92]([N:93]2:[C:94]([H:159]):[N:95]:[C:96]3:[C:97]([N:98]([H:160])[H:161]):[N:99]:[C:100]([H:162]):[N:101]:[C:102]:2:3)([H:163])[C@@:103]([O:104][H:164])([H:165])[C@@:105]1([O:106][P:107](=[O:108])([O:109][H:166])[O:110][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])[H:197])([H:198])[H:199])([H:200])([H:201])[H:202]>>[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:111])([C:17]([C:18]([H:112])([H:113])[H:114])([C:19]([H:115])([H:116])[H:117])[C:20]([O:21][P:22](=[O:23])([O:24][H:118])[O:25][P:26](=[O:27])([O:28][H:119])[O:29][C:30]([C@@:31]1([H:120])[O:32][C@:33]([N:34]2:[C:35]([H:121]):[N:36]:[C:37]3:[C:38]([N:39]([H:122])[H:123]):[N:40]:[C:41]([H:124]):[N:42]:[C:43]:2:3)([H:125])[C@@:44]([O:45][H:126])([H:127])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:128])[O:51][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:61]([C:60]([C:59]([C:58]([C:57]([C:56]([C:55]([C:54]([C:53]([C:52]([H:200])([H:201])[H:202])([H:198])[H:199])([H:196])[H:197])([H:194])[H:195])([H:192])[H:193])([H:190])[H:191])([H:188])[H:189])([H:186])[H:187])([H:184])[H:185])=[O:62])([H:146])[H:147].[H][S:63][C:64]([C:65]([N:66]([C:67](=[O:68])[C:69]([C:70]([N:71]([C:72](=[O:73])[C@:74]([O:75][H:149])([C:76]([C:77]([H:150])([H:151])[H:152])([C:78]([H:153])([H:154])[H:155])[C:79]([O:80][P:81](=[O:82])([O:83][H:156])[O:84][P:85](=[O:86])([O:87][H:157])[O:88][C:89]([C@@:90]1([H:158])[O:91][C@:92]([N:93]2:[C:94]([H:159]):[N:95]:[C:96]3:[C:97]([N:98]([H:160])[H:161]):[N:99]:[C:100]([H:162]):[N:101]:[C:102]:2:3)([H:163])[C@@:103]([O:104][H:164])([H:165])[C@@:105]1([O:106][P:107](=[O:108])([O:109][H:166])[O:110][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]