SMIRKS
[H]O[C:16]([C@@:7]([N:6]([H:80])[H:81])([C:8]([C:9]1:[C:10]([H:71]):[C:11]([H:72]):[C:12]([O:13][H:73]):[C:14]([H:74]):[C:15]:1[H:75])([H:76])[H:77])[H:79])=[O:17]>>[H]OC(=O)C([H])([H])N([H])[C:16]([C@@:7]([N:6]([H:80])[H:81])([C:8]([C:9]1:[C:10]([H:71]):[C:11]([H:72]):[C:12]([O:13][H:73]):[C:14]([H:74]):[C:15]:1[H:75])([H:76])[H:77])[H:79])=[O:17]
Derived Operators
EVODEX.1-F224 - Elemental Balance
| O | 1 |
| C | 2 |
| N | 1 |
| H | 3 |
EVODEX.1-M134 - Mass Difference
57.02149000000001
EVODEX.1-E941 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#8]-[H]>>[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])-[H]
EVODEX.1-C818 - Reaction Operator C
[H]-[#8]-[#6:16]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:16]
EVODEX.1-N1029 - Reaction Operator N
[H]-[#8]-[#6:16](-[#6@@:7])=[#8:17]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:16](-[#6@@:7])=[#8:17]
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-R7867
[N:19]([C:20]1:[N:21]:[C:22]([H:50]):[N:23]:[C:24]2:[C:25]:1:[N:26]:[C:27]([H:51]):[N:28]:2[C@:29]1([H:52])[O:30][C@@:31]([C:32]([O:33][P:34](=[O:35])([O:36][H:53])[O:37][P:38](=[O:39])([O:40][H:54])[O:41][P:42](=[O:43])([O:44][H:55])[O:45][H:56])([H:57])[H:58])([H:59])[C@:46]([O:47][H:60])([H:61])[C@:48]1([O:49][H:62])[H:63])([H:64])[H:65].[H][N:1]([C:2]([C:3](=[O:4])[O:5][H:66])([H:67])[H:68])[H:69].[N:6]([C@@:7]([C:8]([C:9]1:[C:10]([H:71]):[C:11]([H:72]):[C:12]([O:13][H:73]):[C:14]([H:74]):[C:15]:1[H:75])([H:76])[H:77])([C:16](=[O:17])[O:18][H:78])[H:79])([H:80])[H:81]>>[N:1]([C:2]([C:3](=[O:4])[O:5][H:66])([H:67])[H:68])([C:16]([C@@:7]([N:6]([H:80])[H:81])([C:8]([C:9]1:[C:10]([H:71]):[C:11]([H:72]):[C:12]([O:13][H:73]):[C:14]([H:74]):[C:15]:1[H:75])([H:76])[H:77])[H:79])=[O:17])[H:69].[O:18]([P:38]([O:37][P:34]([O:33][C:32]([C@@:31]1([H:59])[O:30][C@:29]([N:28]2:[C:24]3:[N:23]:[C:22]([H:50]):[N:21]:[C:20]([N:19]([H:64])[H:65]):[C:25]:3:[N:26]:[C:27]:2[H:51])([H:52])[C@@:48]([O:49][H:62])([H:63])[C@@:46]1([O:47][H:60])[H:61])([H:57])[H:58])(=[O:35])[O:36][H:53])(=[O:39])[O:40][H:54])[H:78].[H][O:41][P:42](=[O:43])([O:44][H:55])[O:45][H:56]