SMIRKS
[C:52]([C:53]([C:54]([H:99])([H:100])[H:101])([C:55](=[O:56])[C:57](=[O:58])[O:59][H:102])[H:103])([H:104])([H:105])[H:106]>>[H]OC(=O)C([H])([H])[C@@:55]([C:53]([C:52]([H:104])([H:105])[H:106])([C:54]([H:99])([H:100])[H:101])[H:103])([O:56][H])[C:57](=[O:58])[O:59][H:102]
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-R2919
[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:61])([C:17]([C:18]([H:62])([H:63])[H:64])([C:19]([H:65])([H:66])[H:67])[C:20]([O:21][P:22](=[O:23])([O:24][H:68])[O:25][P:26](=[O:27])([O:28][H:69])[O:29][C:30]([C@@:31]1([H:70])[O:32][C@:33]([N:34]2:[C:35]([H:71]):[N:36]:[C:37]3:[C:38]([N:39]([H:72])[H:73]):[N:40]:[C:41]([H:74]):[N:42]:[C:43]:2:3)([H:75])[C@@:44]([O:45][H:76])([H:77])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:78])[O:51][H:79])[H:80])([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].[C:52]([C:53]([C:54]([H:99])([H:100])[H:101])([C:55](=[O:56])[C:57](=[O:58])[O:59][H:102])[H:103])([H:104])([H:105])[H:106].[H][O:60][H:107]>>[H][O:56][C@@:55]([C:1]([C:2](=[O:3])[O:60][H:107])([H:96])[H:97])([C:53]([C:52]([H:104])([H:105])[H:106])([C:54]([H:99])([H:100])[H:101])[H:103])[C:57](=[O:58])[O:59][H:102].[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:61])([C:17]([C:18]([H:62])([H:63])[H:64])([C:19]([H:65])([H:66])[H:67])[C:20]([O:21][P:22](=[O:23])([O:24][H:68])[O:25][P:26](=[O:27])([O:28][H:69])[O:29][C:30]([C@@:31]1([H:70])[O:32][C@:33]([N:34]2:[C:35]([H:71]):[N:36]:[C:37]3:[C:38]([N:39]([H:72])[H:73]):[N:40]:[C:41]([H:74]):[N:42]:[C:43]:2:3)([H:75])[C@@:44]([O:45][H:76])([H:77])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:78])[O:51][H:79])[H:80])([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]