SMIRKS
[H]O[C:4]([C@@:2]([C:1]([H:50])([H:51])[H:52])([N:3]([H:46])[H:47])[H:49])=[O:5]>>[H]OC(=O)[C@]([H])(N([H])[C:4]([C@@:2]([C:1]([H:50])([H:51])[H:52])([N:3]([H:46])[H:47])[H:49])=[O:5])[C@]([H])(O[H])C([H])([H])[H]
Derived Operators
EVODEX.1-F160 - Elemental Balance
| O | 2 |
| C | 4 |
| N | 1 |
| H | 7 |
EVODEX.1-M68 - Mass Difference
101.04771
EVODEX.1-E826 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#8]-[H]>>[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6@@](-[#6@@](-[#6](-[H])(-[H])-[H])(-[#8]-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H]
EVODEX.1-C820 - Reaction Operator C
[H]-[#8]-[#6:7]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:7])-[#6@](-[H])(-[#8]-[H])-[#6](-[H])(-[H])-[H]
EVODEX.1-N1031 - Reaction Operator N
[H]-[#8]-[#6:7](-[#6@:5])=[#8:8]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:7](-[#6@:5])=[#8:8])-[#6@](-[H])(-[#8]-[H])-[#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-R7720
[C:1]([C@@:2]([N:3]([H:46])[H:47])([C:4](=[O:5])[O:6][H:48])[H:49])([H:50])([H:51])[H:52].[H][N:11]([C@:10]([C@@:8]([C:7]([H:59])([H:60])[H:61])([O:9][H:53])[H:58])([C:12](=[O:13])[O:14][H:56])[H:57])[H:54].[N:15]([C:16]1:[N:17]:[C:18]([H:62]):[N:19]:[C:20]2:[C:21]:1:[N:22]:[C:23]([H:63]):[N:24]:2[C@:25]1([H:64])[O:26][C@@:27]([C:28]([O:29][P:30](=[O:31])([O:32][H:65])[O:33][P:34](=[O:35])([O:36][H:66])[O:37][P:38](=[O:39])([O:40][H:67])[O:41][H:68])([H:69])[H:70])([H:71])[C@:42]([O:43][H:72])([H:73])[C@:44]1([O:45][H:74])[H:75])([H:76])[H:77]>>[C:1]([C@@:2]([N:3]([H:46])[H:47])([C:4](=[O:5])[N:11]([C@:10]([C@@:8]([C:7]([H:59])([H:60])[H:61])([O:9][H:53])[H:58])([C:12](=[O:13])[O:14][H:56])[H:57])[H:54])[H:49])([H:50])([H:51])[H:52].[H][O:37][P:38](=[O:39])([O:40][H:67])[O:41][H:68].[O:6]([P:34]([O:33][P:30]([O:29][C:28]([C@@:27]1([H:71])[O:26][C@:25]([N:24]2:[C:20]3:[N:19]:[C:18]([H:62]):[N:17]:[C:16]([N:15]([H:76])[H:77]):[C:21]:3:[N:22]:[C:23]:2[H:63])([H:64])[C@@:44]([O:45][H:74])([H:75])[C@@:42]1([O:43][H:72])[H:73])([H:69])[H:70])(=[O:31])[O:32][H:65])(=[O:35])[O:36][H:66])[H:48]