SMIRKS
[C:11]([C:12]1:[C:13]([H:40]):[N:14]([C@@:15]2([H:41])[C:16]([H:42])([H:43])[C@@:17]([O:18][H:44])([H:45])[C@:19]([C:20]([O:21][P:22](=[O:23])([O:24][H:46])[O:25][P:26](=[O:27])([O:28][H:47])[O:29][P:30](=[O:31])([O:32][H:48])[O:33][H:49])([H:50])[H:51])([H:52])[O:34]2):[C:35](=[O:36]):[N:37]([H:53]):[C:38]:1=[O:39])([H:54])([H:55])[H:56]>>[H][O:29][P:26]([O:25][P:22]([O:21][C:20]([C@:19]1([H:52])[C@:17]([O:18][H:44])([H:45])[C:16]([H:42])([H:43])[C@@:15]([N:14]2:[C:13]([H:40]):[C:12]([C:11]([H:54])([H:55])[H:56]):[C:38](=[O:39]):[N:37]([H:53]):[C:35]:2=[O:36])([H:41])[O:34]1)([H:50])[H:51])(=[O:23])[O:24][H:46])(=[O:27])[O:28][H:47].[H]OC(=O)C([H])([H])[C@@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])O[P:30](=[O:31])([O:32][H:48])[O:33][H:49]
Derived Operators
EVODEX.1-F383 - Elemental Balance
| O | 4 |
| C | 6 |
| H | 12 |
EVODEX.1-M382 - Mass Difference
148.07356
EVODEX.1-E1178 - Reaction Operator E
[#15:26]-[#8:29]-[#15:30](=[#8:31])(-[#8:32])-[#8:33]>>[#6](-[#6@@](-[#8]-[H])(-[#6](-[#6](-[#8]-[#15:30](=[#8:31])(-[#8:32])-[#8:33])(-[H])-[H])(-[H])-[H])-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])(-[H])-[H].[#15:26]-[#8:29]-[H]
EVODEX.1-C985 - Reaction Operator C
([#8:30]-[#15:31].[#6@@:18])>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[#8]-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8]-[#15:31].([H]-[#8:30].[#6@:18])
EVODEX.1-N1220 - Reaction Operator N
([#6:17]-[#6@@:18](-[#8:19])(-[H:57])-[#6@:20].[#15:27]-[#8:30]-[#15:31](=[#8:32])(-[#8:33])-[#8:34])>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[#8]-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8]-[#15:31](=[#8:32])(-[#8:33])-[#8:34].([H]-[#8:30]-[#15:27].[#8:19]-[#6@@:18](-[#6@:20])(-[H:57])-[#6:17])
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-R4025
[C:11]([C:12]1:[C:13]([H:40]):[N:14]([C@@:15]2([H:41])[C:16]([H:42])([H:43])[C@@:17]([O:18][H:44])([H:45])[C@:19]([C:20]([O:21][P:22](=[O:23])([O:24][H:46])[O:25][P:26](=[O:27])([O:28][H:47])[O:29][P:30](=[O:31])([O:32][H:48])[O:33][H:49])([H:50])[H:51])([H:52])[O:34]2):[C:35](=[O:36]):[N:37]([H:53]):[C:38]:1=[O:39])([H:54])([H:55])[H:56].[H][O:6][C:5]([C:4]([C@@:2]([C:1]([H:66])([H:67])[H:68])([O:3][H:57])[C:7]([C:8](=[O:9])[O:10][H:63])([H:64])[H:65])([H:61])[H:62])([H:59])[H:60]>>[H][O:29][P:26]([O:25][P:22]([O:21][C:20]([C@:19]1([H:52])[C@:17]([O:18][H:44])([H:45])[C:16]([H:42])([H:43])[C@@:15]([N:14]2:[C:13]([H:40]):[C:12]([C:11]([H:54])([H:55])[H:56]):[C:38](=[O:39]):[N:37]([H:53]):[C:35]:2=[O:36])([H:41])[O:34]1)([H:50])[H:51])(=[O:23])[O:24][H:46])(=[O:27])[O:28][H:47].[C:1]([C@@:2]([O:3][H:57])([C:4]([C:5]([O:6][P:30](=[O:31])([O:32][H:48])[O:33][H:49])([H:59])[H:60])([H:61])[H:62])[C:7]([C:8](=[O:9])[O:10][H:63])([H:64])[H:65])([H:66])([H:67])[H:68]