SMIRKS
[H]O[C:14]([C@:12]([C:11]([C:10]([C:8]([N:7]([H:79])[H:80])=[O:9])([H:77])[H:78])([H:75])[H:76])([N:13]([H:71])[H:72])[H:74])=[O:15]>>[H]OC(=O)[C@@]([H])(N([H])[C:14]([C@:12]([C:11]([C:10]([C:8]([N:7]([H:79])[H:80])=[O:9])([H:77])[H:78])([H:75])[H:76])([N:13]([H:71])[H:72])[H:74])=[O:15])C([H])([H])[H]
Derived Operators
EVODEX.1-F223 - Elemental Balance
| O | 1 |
| C | 3 |
| N | 1 |
| H | 5 |
EVODEX.1-M74 - Mass Difference
71.03715000000001
EVODEX.1-E939 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#8]-[H]>>[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6@@](-[#6](-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H]
EVODEX.1-C603 - Reaction Operator C
[H]-[#8]-[#6:14]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:14])-[#6](-[H])(-[H])-[H]
EVODEX.1-N760 - Reaction Operator N
[H]-[#8]-[#6:14](-[#6@:12])=[#8:15]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:14](-[#6@:12])=[#8:15])-[#6](-[H])(-[H])-[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-R7846
[H][N:3]([C@@:2]([C:1]([H:52])([H:53])[H:54])([C:4](=[O:5])[O:6][H:50])[H:51])[H:48].[N:17]([C:18]1:[N:19]:[C:20]([H:55]):[N:21]:[C:22]2:[C:23]:1:[N:24]:[C:25]([H:56]):[N:26]:2[C@:27]1([H:57])[O:28][C@@:29]([C:30]([O:31][P:32](=[O:33])([O:34][H:58])[O:35][P:36](=[O:37])([O:38][H:59])[O:39][P:40](=[O:41])([O:42][H:60])[O:43][H:61])([H:62])[H:63])([H:64])[C@:44]([O:45][H:65])([H:66])[C@:46]1([O:47][H:67])[H:68])([H:69])[H:70].[N:7]([C:8](=[O:9])[C:10]([C:11]([C@:12]([N:13]([H:71])[H:72])([C:14](=[O:15])[O:16][H:73])[H:74])([H:75])[H:76])([H:77])[H:78])([H:79])[H:80]>>[C:1]([C@:2]([N:3]([C:14]([C@:12]([C:11]([C:10]([C:8]([N:7]([H:79])[H:80])=[O:9])([H:77])[H:78])([H:75])[H:76])([N:13]([H:71])[H:72])[H:74])=[O:15])[H:48])([C:4](=[O:5])[O:6][H:50])[H:51])([H:52])([H:53])[H:54].[O:16]([P:36]([O:35][P:32]([O:31][C:30]([C@@:29]1([H:64])[O:28][C@:27]([N:26]2:[C:22]3:[N:21]:[C:20]([H:55]):[N:19]:[C:18]([N:17]([H:69])[H:70]):[C:23]:3:[N:24]:[C:25]:2[H:56])([H:57])[C@@:46]([O:47][H:67])([H:68])[C@@:44]1([O:45][H:65])[H:66])([H:62])[H:63])(=[O:33])[O:34][H:58])(=[O:37])[O:38][H:59])[H:73].[H][O:39][P:40](=[O:41])([O:42][H:60])[O:43][H:61]