SMIRKS
[C:52]([S:53][C:54]([C:55]([C:56]([C:57]([C:58]([C:59]([C:60]([C:61](=[O:62])[C:63](=[O:64])[O:65][H:105])([H:106])[H:107])([H:108])[H:109])([H:110])[H:111])([H:112])[H:113])([H:114])[H:115])([H:116])[H:117])([H:118])[H:119])([H:120])([H:121])[H:122]>>[H]OC(=O)C([H])([H])[C:61]([C:60]([C:59]([C:58]([C:57]([C:56]([C:55]([C:54]([S:53][C:52]([H:120])([H:121])[H:122])([H:118])[H:119])([H:116])[H:117])([H:114])[H:115])([H:112])[H:113])([H:110])[H:111])([H:108])[H:109])([H:106])[H:107])([O:62][H])[C:63](=[O:64])[O:65][H:105]
Derived Operators
EVODEX.1-F234 - Elemental Balance
| O | 2 |
| C | 2 |
| H | 4 |
EVODEX.1-M75 - Mass Difference
60.02112
EVODEX.1-E956 - Reaction Operator E
[#8:53]=[#6:54]-[#6:56](=[#8:57])-[#6:58]>>[#6](-[#6](=[#8])-[#8]-[H])(-[#6@:56](-[#6:54]=[#8:53])(-[#8:57]-[H])-[#6:58])(-[H])-[H]
EVODEX.1-C372 - Reaction Operator C
[#6:61]=[#8:62]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6:61]-[#8:62]-[H]
EVODEX.1-N436 - Reaction Operator N
[#6:60]-[#6:61](=[#8:62])-[#6:63]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6:61](-[#6:60])(-[#8:62]-[H])-[#6:63]
EVODEX.1-Em483 - Reaction Operator Em
[#6:60]-[#6:61](=[#8:62])-[#6:63]=[#8:64]>>[#6]-[#6](-[H])(-[H])-[#6:61](-[#6:60])(-[#8:62]-[H])-[#6:63]=[#8:64]
EVODEX.1-Nm434 - Reaction Operator Nm
[#6:60]-[#6:61](=[#8:62])-[#6:63]>>[#6]-[#6](-[H])(-[H])-[#6:61](-[#6:60])(-[#8:62]-[H])-[#6:63]
Source Full Reactions
EVODEX.1-R2936
[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:67])([C:17]([C:18]([H:68])([H:69])[H:70])([C:19]([H:71])([H:72])[H:73])[C:20]([O:21][P:22](=[O:23])([O:24][H:74])[O:25][P:26](=[O:27])([O:28][H:75])[O:29][C:30]([C@@:31]1([H:76])[O:32][C@:33]([N:34]2:[C:35]([H:77]):[N:36]:[C:37]3:[C:38]([N:39]([H:78])[H:79]):[N:40]:[C:41]([H:80]):[N:42]:[C:43]:2:3)([H:81])[C@@:44]([O:45][H:82])([H:83])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:84])[O:51][H:85])[H:86])([H:87])[H:88])([H:89])[H:90])[H:91])[H:92])([H:93])[H:94])([H:95])[H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103].[C:52]([S:53][C:54]([C:55]([C:56]([C:57]([C:58]([C:59]([C:60]([C:61](=[O:62])[C:63](=[O:64])[O:65][H:105])([H:106])[H:107])([H:108])[H:109])([H:110])[H:111])([H:112])[H:113])([H:114])[H:115])([H:116])[H:117])([H:118])[H:119])([H:120])([H:121])[H:122].[H][O:66][H:123]>>[H][O:62][C:61]([C:1]([C:2](=[O:3])[O:66][H:123])([H:102])[H:103])([C:60]([C:59]([C:58]([C:57]([C:56]([C:55]([C:54]([S:53][C:52]([H:120])([H:121])[H:122])([H:118])[H:119])([H:116])[H:117])([H:114])[H:115])([H:112])[H:113])([H:110])[H:111])([H:108])[H:109])([H:106])[H:107])[C:63](=[O:64])[O:65][H:105].[H][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:67])([C:17]([C:18]([H:68])([H:69])[H:70])([C:19]([H:71])([H:72])[H:73])[C:20]([O:21][P:22](=[O:23])([O:24][H:74])[O:25][P:26](=[O:27])([O:28][H:75])[O:29][C:30]([C@@:31]1([H:76])[O:32][C@:33]([N:34]2:[C:35]([H:77]):[N:36]:[C:37]3:[C:38]([N:39]([H:78])[H:79]):[N:40]:[C:41]([H:80]):[N:42]:[C:43]:2:3)([H:81])[C@@:44]([O:45][H:82])([H:83])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:84])[O:51][H:85])[H:86])([H:87])[H:88])([H:89])[H:90])[H:91])[H:92])([H:93])[H:94])([H:95])[H:96])[H:97])([H:98])[H:99])([H:100])[H:101]