SMIRKS
[H][N:6]([C@@:5]([C:4]([C:3]([C:2]([N:1]([H:81])[H:82])([H:79])[H:80])([H:77])[H:78])([H:75])[H:76])([C:7](=[O:8])[O:9][H:73])[H:74])[H:71]>>[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[C@]([H])(C(=O)[N:6]([C@@:5]([C:4]([C:3]([C:2]([N:1]([H:81])[H:82])([H:79])[H:80])([H:77])[H:78])([H:75])[H:76])([C:7](=[O:8])[O:9][H:73])[H:74])[H:71])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-R7698
[N:10]([C@@:11]([C:12]([C:13]([C:14](=[O:15])[N:16]([C@@:17]([C:18]([S:19][H:57])([H:58])[H:59])([C:20](=[O:21])[O:22][H:60])[H:61])[H:62])([H:63])[H:64])([H:65])[H:66])([C:23](=[O:24])[O:25][H:67])[H:68])([H:69])[H:70].[H][N:6]([C@@:5]([C:4]([C:3]([C:2]([N:1]([H:81])[H:82])([H:79])[H:80])([H:77])[H:78])([H:75])[H:76])([C:7](=[O:8])[O:9][H:73])[H:74])[H:71].[N:26]([C:27]1:[N:28]:[C:29]([H:83]):[N:30]:[C:31]2:[C:32]:1:[N:33]:[C:34]([H:84]):[N:35]:2[C@:36]1([H:85])[O:37][C@@:38]([C:39]([O:40][P:41](=[O:42])([O:43][H:86])[O:44][P:45](=[O:46])([O:47][H:87])[O:48][P:49](=[O:50])([O:51][H:88])[O:52][H:89])([H:90])[H:91])([H:92])[C@:53]([O:54][H:93])([H:94])[C@:55]1([O:56][H:95])[H:96])([H:97])[H:98]>>[N:1]([C:2]([C:3]([C:4]([C@:5]([N:6]([C:20]([C@@:17]([N:16]([C:14]([C:13]([C:12]([C@:11]([N:10]([H:69])[H:70])([C:23](=[O:24])[O:25][H:67])[H:68])([H:65])[H:66])([H:63])[H:64])=[O:15])[H:62])([C:18]([S:19][H:57])([H:58])[H:59])[H:61])=[O:21])[H:71])([C:7](=[O:8])[O:9][H:73])[H:74])([H:75])[H:76])([H:77])[H:78])([H:79])[H:80])([H:81])[H:82].[H][O:48][P:45]([O:44][P:41]([O:40][C:39]([C@@:38]1([H:92])[O:37][C@:36]([N:35]2:[C:31]3:[N:30]:[C:29]([H:83]):[N:28]:[C:27]([N:26]([H:97])[H:98]):[C:32]:3:[N:33]:[C:34]:2[H:84])([H:85])[C@@:55]([O:56][H:95])([H:96])[C@@:53]1([O:54][H:93])[H:94])([H:90])[H:91])(=[O:42])[O:43][H:86])(=[O:46])[O:47][H:87].[O:22]([P:49](=[O:50])([O:51][H:88])[O:52][H:89])[H:60]