SMIRKS
[H][N:7]([C@:8]([C:9]([O:10][H:68])([H:69])[H:70])([C:11](=[O:12])[O:13][H:71])[H:72])[H:73]>>[H]N([H])[C@@]([H])(C(=O)[N:7]([C@:8]([C:9]([O:10][H:68])([H:69])[H:70])([C:11](=[O:12])[O:13][H:71])[H:72])[H:73])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-R7719
[C:1]([C@@:2]([N:3]([H:45])[H:46])([C:4](=[O:5])[O:6][H:47])[H:48])([H:49])([H:50])[H:51].[N:14]([C:15]1:[N:16]:[C:17]([H:52]):[N:18]:[C:19]2:[C:20]:1:[N:21]:[C:22]([H:53]):[N:23]:2[C@:24]1([H:54])[O:25][C@@:26]([C:27]([O:28][P:29](=[O:30])([O:31][H:55])[O:32][P:33](=[O:34])([O:35][H:56])[O:36][P:37](=[O:38])([O:39][H:57])[O:40][H:58])([H:59])[H:60])([H:61])[C@:41]([O:42][H:62])([H:63])[C@:43]1([O:44][H:64])[H:65])([H:66])[H:67].[H][N:7]([C@:8]([C:9]([O:10][H:68])([H:69])[H:70])([C:11](=[O:12])[O:13][H:71])[H:72])[H:73]>>[C:1]([C@@:2]([N:3]([H:45])[H:46])([C:4](=[O:5])[N:7]([C@:8]([C:9]([O:10][H:68])([H:69])[H:70])([C:11](=[O:12])[O:13][H:71])[H:72])[H:73])[H:48])([H:49])([H:50])[H:51].[H][O:36][P:37](=[O:38])([O:39][H:57])[O:40][H:58].[O:6]([P:33]([O:32][P:29]([O:28][C:27]([C@@:26]1([H:61])[O:25][C@:24]([N:23]2:[C:19]3:[N:18]:[C:17]([H:52]):[N:16]:[C:15]([N:14]([H:66])[H:67]):[C:20]:3:[N:21]:[C:22]:2[H:53])([H:54])[C@@:43]([O:44][H:64])([H:65])[C@@:41]1([O:42][H:62])[H:63])([H:59])[H:60])(=[O:30])[O:31][H:55])(=[O:34])[O:35][H:56])[H:47]