SMIRKS
[H][N:4]([C:3]([C:2]([C:1]([H:61])([H:62])[H:63])([H:59])[H:60])([C:5](=[O:6])[O:7][H:57])[H:58])[H:55]>>[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[C@]([H])(C(=O)[N:4]([C:3]([C:2]([C:1]([H:61])([H:62])[H:63])([H:59])[H:60])([C:5](=[O:6])[O:7][H:57])[H:58])[H:55])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-R7699
[H][N:4]([C:3]([C:2]([C:1]([H:61])([H:62])[H:63])([H:59])[H:60])([C:5](=[O:6])[O:7][H:57])[H:58])[H:55].[N:24]([C:25]1:[N:26]:[C:27]([H:64]):[N:28]:[C:29]2:[C:30]:1:[N:31]:[C:32]([H:65]):[N:33]:2[C@:34]1([H:66])[O:35][C@@:36]([C:37]([O:38][P:39](=[O:40])([O:41][H:67])[O:42][P:43](=[O:44])([O:45][H:68])[O:46][P:47](=[O:48])([O:49][H:69])[O:50][H:70])([H:71])[H:72])([H:73])[C@:51]([O:52][H:74])([H:75])[C@:53]1([O:54][H:76])[H:77])([H:78])[H:79].[N:8]([C@@:9]([C:10]([C:11]([C:12](=[O:13])[N:14]([C@@:15]([C:16]([S:17][H:80])([H:81])[H:82])([C:18](=[O:19])[O:20][H:83])[H:84])[H:85])([H:86])[H:87])([H:88])[H:89])([C:21](=[O:22])[O:23][H:90])[H:91])([H:92])[H:93]>>[C:1]([C:2]([C:3]([N:4]([C:18]([C@@:15]([N:14]([C:12]([C:11]([C:10]([C@:9]([N:8]([H:92])[H:93])([C:21](=[O:22])[O:23][H:90])[H:91])([H:88])[H:89])([H:86])[H:87])=[O:13])[H:85])([C:16]([S:17][H:80])([H:81])[H:82])[H:84])=[O:19])[H:55])([C:5](=[O:6])[O:7][H:57])[H:58])([H:59])[H:60])([H:61])([H:62])[H:63].[H][O:46][P:43]([O:42][P:39]([O:38][C:37]([C@@:36]1([H:73])[O:35][C@:34]([N:33]2:[C:29]3:[N:28]:[C:27]([H:64]):[N:26]:[C:25]([N:24]([H:78])[H:79]):[C:30]:3:[N:31]:[C:32]:2[H:65])([H:66])[C@@:53]([O:54][H:76])([H:77])[C@@:51]1([O:52][H:74])[H:75])([H:71])[H:72])(=[O:40])[O:41][H:67])(=[O:44])[O:45][H:68].[O:20]([P:47](=[O:48])([O:49][H:69])[O:50][H:70])[H:83]