SMIRKS
[H][N:1]([C:2]([C@:3]([N:4]([H:55])[H:56])([C:5](=[O:6])[O:7][H:57])[H:58])([H:59])[H:60])[H:61]>>[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[C@]([H])(C(=O)[N:1]([C:2]([C@:3]([N:4]([H:55])[H:56])([C:5](=[O:6])[O:7][H:57])[H:58])([H:59])[H:60])[H:61])C([H])([H])S[H]
Derived Operators
EVODEX.1-F208 - Elemental Balance
| O | 4 |
| C | 8 |
| S | 1 |
| N | 2 |
| H | 12 |
EVODEX.1-M280 - Mass Difference
232.05186000000003
EVODEX.1-E913 - Reaction Operator E
[#6:3]-[#7:4](-[H:55])-[H]>>[#6:3]-[#7:4](-[#6](-[#6@@](-[#7](-[#6](-[#6](-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])=[#8])-[H])(-[#6](-[#16]-[H])(-[H])-[H])-[H])=[#8])-[H:55]
EVODEX.1-C812 - Reaction Operator C
[H]-[#7:4]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7:4])-[#6](-[H])(-[H])-[#16]-[H]
EVODEX.1-N1023 - Reaction Operator N
[H]-[#7:4](-[#6:3])-[H:55]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7:4](-[#6:3])-[H:55])-[#6](-[H])(-[H])-[#16]-[H]
Source Full Reactions
EVODEX.1-R7692
[H][N:1]([C:2]([C@:3]([N:4]([H:55])[H:56])([C:5](=[O:6])[O:7][H:57])[H:58])([H:59])[H:60])[H:61].[N:24]([C:25]1:[N:26]:[C:27]([H:63]):[N:28]:[C:29]2:[C:30]:1:[N:31]:[C:32]([H:64]):[N:33]:2[C@:34]1([H:65])[O:35][C@@:36]([C:37]([O:38][P:39](=[O:40])([O:41][H:66])[O:42][P:43](=[O:44])([O:45][H:67])[O:46][P:47](=[O:48])([O:49][H:68])[O:50][H:69])([H:70])[H:71])([H:72])[C@:51]([O:52][H:73])([H:74])[C@:53]1([O:54][H:75])[H:76])([H:77])[H:78].[N:8]([C@@:9]([C:10]([C:11]([C:12](=[O:13])[N:14]([C@@:15]([C:16]([S:17][H:79])([H:80])[H:81])([C:18](=[O:19])[O:20][H:82])[H:83])[H:84])([H:85])[H:86])([H:87])[H:88])([C:21](=[O:22])[O:23][H:89])[H:90])([H:91])[H:92]>>[N:1]([C:2]([C@:3]([N:4]([H:55])[H:56])([C:5](=[O:6])[O:7][H:57])[H:58])([H:59])[H:60])([C:18]([C@@:15]([N:14]([C:12]([C:11]([C:10]([C@:9]([N:8]([H:91])[H:92])([C:21](=[O:22])[O:23][H:89])[H:90])([H:87])[H:88])([H:85])[H:86])=[O:13])[H:84])([C:16]([S:17][H:79])([H:80])[H:81])[H:83])=[O:19])[H:61].[O:20]([P:43]([O:42][P:39]([O:38][C:37]([C@@:36]1([H:72])[O:35][C@:34]([N:33]2:[C:29]3:[N:28]:[C:27]([H:63]):[N:26]:[C:25]([N:24]([H:77])[H:78]):[C:30]:3:[N:31]:[C:32]:2[H:64])([H:65])[C@@:53]([O:54][H:75])([H:76])[C@@:51]1([O:52][H:73])[H:74])([H:70])[H:71])(=[O:40])[O:41][H:66])(=[O:44])[O:45][H:67])[H:82].[H][O:46][P:47](=[O:48])([O:49][H:68])[O:50][H:69]