SMIRKS
[N:1]([C:2]([C:3]([O:4][P:5](=[O:6])([O:7][H:36])[O:8][P:9](=[O:10])([O:11][H:37])[O:12][C:13]([C@@:14]1([H:38])[O:15][C@:16]([N:17]2:[C:18]([H:39]):[C:19]([H:40]):[C:20]([N:21]([H:41])[H:42]):[N:22]:[C:23]:2=[O:24])([H:43])[C@@:25]([O:26][H:44])([H:45])[C@@:27]1([O:28][H:46])[H:47])([H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([H:54])[H:55]>>[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])O[P:5]([O:4][C:3]([C:2]([N:1]([H:54])[H:55])([H:52])[H:53])([H:50])[H:51])(=[O:6])[O:7][H:36].[H][O:8][P:9](=[O:10])([O:11][H:37])[O:12][C:13]([C@@:14]1([H:38])[O:15][C@:16]([N:17]2:[C:18]([H:39]):[C:19]([H:40]):[C:20]([N:21]([H:41])[H:42]):[N:22]:[C:23]:2=[O:24])([H:43])[C@@:25]([O:26][H:44])([H:45])[C@@:27]1([O:28][H:46])[H:47])([H:48])[H:49]
Derived Operators
EVODEX.1-F269 - Elemental Balance
| O | 3 |
| C | 3 |
| N | 1 |
| H | 7 |
EVODEX.1-M140 - Mass Difference
105.04261
EVODEX.1-E1016 - Reaction Operator E
[#15:23]-[#8:26]-[#15:27](=[#8:28])(-[#8:29])-[#8:30]>>[#15:23]-[#8:26]-[H].[#15:27](=[#8:28])(-[#8:29])(-[#8:30])-[#8]-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H]
EVODEX.1-C1111 - Reaction Operator C
[#8:16]-[#15:17]>>[H]-[#8:16].[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#8]-[#15:17]
EVODEX.1-N1366 - Reaction Operator N
[#15:13]-[#8:16]-[#15:17](=[#8:18])(-[#8:19])-[#8:20]>>[H]-[#8:16]-[#15:13].[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#8]-[#15:17](=[#8:18])(-[#8:19])-[#8:20]
EVODEX.1-Em9 - Reaction Operator Em
[#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#6]-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:14]-[#15:11]
EVODEX.1-Nm10 - Reaction Operator Nm
[#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#6]-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:14]-[#15:11]
Source Full Reactions
EVODEX.1-R4544
[N:1]([C:2]([C:3]([O:4][P:5](=[O:6])([O:7][H:36])[O:8][P:9](=[O:10])([O:11][H:37])[O:12][C:13]([C@@:14]1([H:38])[O:15][C@:16]([N:17]2:[C:18]([H:39]):[C:19]([H:40]):[C:20]([N:21]([H:41])[H:42]):[N:22]:[C:23]:2=[O:24])([H:43])[C@@:25]([O:26][H:44])([H:45])[C@@:27]1([O:28][H:46])[H:47])([H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([H:54])[H:55].[H][O:32][C:31]([C@:30]([N:29]([H:61])[H:62])([C:33](=[O:34])[O:35][H:59])[H:60])([H:57])[H:58]>>[N:1]([C:2]([C:3]([O:4][P:5](=[O:6])([O:7][H:36])[O:32][C:31]([C@:30]([N:29]([H:61])[H:62])([C:33](=[O:34])[O:35][H:59])[H:60])([H:57])[H:58])([H:50])[H:51])([H:52])[H:53])([H:54])[H:55].[H][O:8][P:9](=[O:10])([O:11][H:37])[O:12][C:13]([C@@:14]1([H:38])[O:15][C@:16]([N:17]2:[C:18]([H:39]):[C:19]([H:40]):[C:20]([N:21]([H:41])[H:42]):[N:22]:[C:23]:2=[O:24])([H:43])[C@@:25]([O:26][H:44])([H:45])[C@@:27]1([O:28][H:46])[H:47])([H:48])[H:49]