SMIRKS
[H][N:5]([C@:4]([C:3]([C:2]([C:1]([H:54])([H:55])[H:56])([H:52])[H:53])([H:50])[H:51])([C:6](=[O:7])[O:8][H:48])[H:49])[H:46]>>[H]N([H])[C@@]([H])(C(=O)[N:5]([C@:4]([C:3]([C:2]([C:1]([H:54])([H:55])[H:56])([H:52])[H:53])([H:50])[H:51])([C:6](=[O:7])[O:8][H:48])[H:49])[H:46])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-E938 - Reaction Operator E
[#7:7](-[#6@@:8])(-[H:85])-[H]>>[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#7:7](-[#6@@:8])-[H:85])-[H])(-[H])(-[H])-[H]
EVODEX.1-C819 - Reaction Operator C
[H]-[#7:7]>>[H]-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7:7])-[#6](-[H])(-[H])-[H]
EVODEX.1-N1030 - Reaction Operator N
[H]-[#7:7](-[#6@@:8])-[H:85]>>[H]-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7:7](-[#6@@:8])-[H:85])-[#6](-[H])(-[H])-[H]
Source Full Reactions
EVODEX.1-R7733
[H][N:5]([C@:4]([C:3]([C:2]([C:1]([H:54])([H:55])[H:56])([H:52])[H:53])([H:50])[H:51])([C:6](=[O:7])[O:8][H:48])[H:49])[H:46].[C:9]([C@@:10]([N:11]([H:57])[H:58])([C:12](=[O:13])[O:14][H:59])[H:60])([H:61])([H:62])[H:63].[N:15]([C:16]1:[N:17]:[C:18]([H:64]):[N:19]:[C:20]2:[C:21]:1:[N:22]:[C:23]([H:65]):[N:24]:2[C@:25]1([H:66])[O:26][C@@:27]([C:28]([O:29][P:30](=[O:31])([O:32][H:67])[O:33][P:34](=[O:35])([O:36][H:68])[O:37][P:38](=[O:39])([O:40][H:69])[O:41][H:70])([H:71])[H:72])([H:73])[C@:42]([O:43][H:74])([H:75])[C@:44]1([O:45][H:76])[H:77])([H:78])[H:79]>>[C:1]([C:2]([C:3]([C@@:4]([N:5]([C:12]([C@@:10]([C:9]([H:61])([H:62])[H:63])([N:11]([H:57])[H:58])[H:60])=[O:13])[H:46])([C:6](=[O:7])[O:8][H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([H:54])([H:55])[H:56].[O:14]([P:34]([O:33][P:30]([O:29][C:28]([C@@:27]1([H:73])[O:26][C@:25]([N:24]2:[C:20]3:[N:19]:[C:18]([H:64]):[N:17]:[C:16]([N:15]([H:78])[H:79]):[C:21]:3:[N:22]:[C:23]:2[H:65])([H:66])[C@@:44]([O:45][H:76])([H:77])[C@@:42]1([O:43][H:74])[H:75])([H:71])[H:72])(=[O:31])[O:32][H:67])(=[O:35])[O:36][H:68])[H:59].[H][O:37][P:38](=[O:39])([O:40][H:69])[O:41][H:70]