SMIRKS
[N:11]([C:12]1:[N:13]:[C:14]2:[C:15](:[N:16]:[C:17]([H:54]):[N:18]:2[C@@:19]2([H:55])[C:20]([H:56])([H:57])[C@@:21]([O:22][H:58])([H:59])[C@:23]([C:24]([O:25][P:26](=[O:27])([O:28][H:60])[O:29][P:30](=[O:31])([O:32][H:61])[O:33][P:34](=[O:35])([O:36][H:62])[O:37][H:63])([H:64])[H:65])([H:66])[O:38]2):[C:39](=[O:40]):[N:41]:1[H:67])([H:68])[H:69]>>[H]OC(=O)C([H])([H])[C@@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])O[P:34](=[O:35])([O:36][H:62])[O:37][H:63].[H][O:33][P:30]([O:29][P:26]([O:25][C:24]([C@:23]1([H:66])[C@:21]([O:22][H:58])([H:59])[C:20]([H:56])([H:57])[C@@:19]([N:18]2:[C:14]3:[N:13]:[C:12]([N:11]([H:68])[H:69]):[N:41]([H:67]):[C:39](=[O:40]):[C:15]:3:[N:16]:[C:17]:2[H:54])([H:55])[O:38]1)([H:64])[H:65])(=[O:27])[O:28][H:60])(=[O:31])[O:32][H:61]
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-R4026
[H][O:6][C:5]([C:4]([C@@:2]([C:1]([H:51])([H:52])[H:53])([O:3][H:42])[C:7]([C:8](=[O:9])[O:10][H:48])([H:49])[H:50])([H:46])[H:47])([H:44])[H:45].[N:11]([C:12]1:[N:13]:[C:14]2:[C:15](:[N:16]:[C:17]([H:54]):[N:18]:2[C@@:19]2([H:55])[C:20]([H:56])([H:57])[C@@:21]([O:22][H:58])([H:59])[C@:23]([C:24]([O:25][P:26](=[O:27])([O:28][H:60])[O:29][P:30](=[O:31])([O:32][H:61])[O:33][P:34](=[O:35])([O:36][H:62])[O:37][H:63])([H:64])[H:65])([H:66])[O:38]2):[C:39](=[O:40]):[N:41]:1[H:67])([H:68])[H:69]>>[C:1]([C@@:2]([O:3][H:42])([C:4]([C:5]([O:6][P:34](=[O:35])([O:36][H:62])[O:37][H:63])([H:44])[H:45])([H:46])[H:47])[C:7]([C:8](=[O:9])[O:10][H:48])([H:49])[H:50])([H:51])([H:52])[H:53].[H][O:33][P:30]([O:29][P:26]([O:25][C:24]([C@:23]1([H:66])[C@:21]([O:22][H:58])([H:59])[C:20]([H:56])([H:57])[C@@:19]([N:18]2:[C:14]3:[N:13]:[C:12]([N:11]([H:68])[H:69]):[N:41]([H:67]):[C:39](=[O:40]):[C:15]:3:[N:16]:[C:17]:2[H:54])([H:55])[O:38]1)([H:64])[H:65])(=[O:27])[O:28][H:60])(=[O:31])[O:32][H:61]