SMIRKS
[H]O[C:12]([C@@:9]([N:8]([H:74])[H:75])([C:10]([S:11][H:69])([H:70])[H:71])[H:73])=[O:13]>>[H]OC(=O)[C@@]([H])(N([H])[C:12]([C@@:9]([N:8]([H:74])[H:75])([C:10]([S:11][H:69])([H:70])[H:71])[H:73])=[O:13])C([H])([H])O[H]
Derived Operators
EVODEX.1-F270 - Elemental Balance
| O | 2 |
| C | 3 |
| N | 1 |
| H | 5 |
EVODEX.1-M141 - Mass Difference
87.03205000000001
EVODEX.1-E1018 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#8]-[H]>>[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6](-[#6](-[#8]-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H]
EVODEX.1-C806 - Reaction Operator C
[H]-[#8]-[#6:42]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[#7](-[H])-[#6:42])-[#6](-[H])(-[H])-[#8]-[H]
EVODEX.1-N1017 - Reaction Operator N
[H]-[#8]-[#6:42](-[#6@:40])=[#8:43]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[#7](-[H])-[#6:42](-[#6@:40])=[#8:43])-[#6](-[H])(-[H])-[#8]-[H]
EVODEX.1-Em11 - Reaction Operator Em
[H]-[#8]-[#6:42](-[#6:40])=[#8:43]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]
EVODEX.1-Nm11 - Reaction Operator Nm
[H]-[#8]-[#6:42](-[#6:40])=[#8:43]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]
Source Full Reactions
EVODEX.1-R7834
[N:15]([C:16]1:[N:17]:[C:18]([H:46]):[N:19]:[C:20]2:[C:21]:1:[N:22]:[C:23]([H:47]):[N:24]:2[C@:25]1([H:48])[O:26][C@@:27]([C:28]([O:29][P:30](=[O:31])([O:32][H:49])[O:33][P:34](=[O:35])([O:36][H:50])[O:37][P:38](=[O:39])([O:40][H:51])[O:41][H:52])([H:53])[H:54])([H:55])[C@:42]([O:43][H:56])([H:57])[C@:44]1([O:45][H:58])[H:59])([H:60])[H:61].[H][N:1]([C@@:2]([C:3]([O:4][H:62])([H:63])[H:64])([C:5](=[O:6])[O:7][H:65])[H:66])[H:67].[N:8]([C@@:9]([C:10]([S:11][H:69])([H:70])[H:71])([C:12](=[O:13])[O:14][H:72])[H:73])([H:74])[H:75]>>[N:1]([C@@:2]([C:3]([O:4][H:62])([H:63])[H:64])([C:5](=[O:6])[O:7][H:65])[H:66])([C:12]([C@@:9]([N:8]([H:74])[H:75])([C:10]([S:11][H:69])([H:70])[H:71])[H:73])=[O:13])[H:67].[O:14]([P:34]([O:33][P:30]([O:29][C:28]([C@@:27]1([H:55])[O:26][C@:25]([N:24]2:[C:20]3:[N:19]:[C:18]([H:46]):[N:17]:[C:16]([N:15]([H:60])[H:61]):[C:21]:3:[N:22]:[C:23]:2[H:47])([H:48])[C@@:44]([O:45][H:58])([H:59])[C@@:42]1([O:43][H:56])[H:57])([H:53])[H:54])(=[O:31])[O:32][H:49])(=[O:35])[O:36][H:50])[H:72].[H][O:37][P:38](=[O:39])([O:40][H:51])[O:41][H:52]