SMIRKS
[C:52]([S:53][C:54]([C:55]([C:56]([C:57](=[O:58])[C:59](=[O:60])[O:61][H:101])([H:102])[H:103])([H:104])[H:105])([H:106])[H:107])([H:108])([H:109])[H:110].[H][O:62][H:111]>>[H]C([H])(C(=O)[O:62][H:111])[C:57]([C:56]([C:55]([C:54]([S:53][C:52]([H:108])([H:109])[H:110])([H:106])[H:107])([H:104])[H:105])([H:102])[H:103])([O:58][H])[C:59](=[O:60])[O:61][H:101]
Derived Operators
EVODEX.1-F50 - Elemental Balance
| O | 1 |
| C | 2 |
| H | 2 |
EVODEX.1-M16 - Mass Difference
42.01056
EVODEX.1-E561 - Reaction Operator E
[#8:53]=[#6:54]-[#6:56](=[#8:57])-[#6:58].[#8:52](-[H:106])-[H]>>[#6](-[#6](=[#8])-[#8:52]-[H:106])(-[#6@:56](-[#6:54]=[#8:53])(-[#8:57]-[H])-[#6:58])(-[H])-[H]
EVODEX.1-C371 - Reaction Operator C
[#6:56]=[#8:57].[H]-[#8:61]>>[H]-[#6](-[H])(-[#6](=[#8])-[#8:61])-[#6:56]-[#8:57]-[H]
EVODEX.1-N434 - Reaction Operator N
[#6:55]-[#6:56](=[#8:57])-[#6:58].[H]-[#8:61]-[H:110]>>[H]-[#6](-[H])(-[#6](=[#8])-[#8:61]-[H:110])-[#6:56](-[#6:55])(-[#8:57]-[H])-[#6:58]
EVODEX.1-Em481 - Reaction Operator Em
[#6:55]-[#6:56](=[#8:57])-[#6:58]=[#8:59].[H]-[#8:61]>>[H]-[#6](-[H])(-[#6](=[#8])-[#8:61])-[#6:56](-[#6:55])(-[#8:57]-[H])-[#6:58]=[#8:59]
EVODEX.1-Cm240 - Reaction Operator Cm
[#6:56]=[#8:57].[H]-[#8:61]>>[#6](-[#6]-[#8:61])-[#6:56]-[#8:57]-[H]
EVODEX.1-Nm432 - Reaction Operator Nm
[#6:55]-[#6:56](=[#8:57])-[#6:58].[H]-[#8:61]>>[H]-[#6](-[H])(-[#6](=[#8])-[#8:61])-[#6:56](-[#6:55])(-[#8:57]-[H])-[#6:58]
Source Full Reactions
EVODEX.1-R2931
[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:63])([C:17]([C:18]([H:64])([H:65])[H:66])([C:19]([H:67])([H:68])[H:69])[C:20]([O:21][P:22](=[O:23])([O:24][H:70])[O:25][P:26](=[O:27])([O:28][H:71])[O:29][C:30]([C@@:31]1([H:72])[O:32][C@:33]([N:34]2:[C:35]([H:73]):[N:36]:[C:37]3:[C:38]([N:39]([H:74])[H:75]):[N:40]:[C:41]([H:76]):[N:42]:[C:43]:2:3)([H:77])[C@@:44]([O:45][H:78])([H:79])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:80])[O:51][H:81])[H:82])([H:83])[H:84])([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].[C:52]([S:53][C:54]([C:55]([C:56]([C:57](=[O:58])[C:59](=[O:60])[O:61][H:101])([H:102])[H:103])([H:104])[H:105])([H:106])[H:107])([H:108])([H:109])[H:110].[H][O:62][H:111]>>[H][O:58][C:57]([C:1]([C:2](=[O:3])[O:62][H:111])([H:98])[H:99])([C:56]([C:55]([C:54]([S:53][C:52]([H:108])([H:109])[H:110])([H:106])[H:107])([H:104])[H:105])([H:102])[H:103])[C:59](=[O:60])[O:61][H:101].[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:63])([C:17]([C:18]([H:64])([H:65])[H:66])([C:19]([H:67])([H:68])[H:69])[C:20]([O:21][P:22](=[O:23])([O:24][H:70])[O:25][P:26](=[O:27])([O:28][H:71])[O:29][C:30]([C@@:31]1([H:72])[O:32][C@:33]([N:34]2:[C:35]([H:73]):[N:36]:[C:37]3:[C:38]([N:39]([H:74])[H:75]):[N:40]:[C:41]([H:76]):[N:42]:[C:43]:2:3)([H:77])[C@@:44]([O:45][H:78])([H:79])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:80])[O:51][H:81])[H:82])([H:83])[H:84])([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]