SMIRKS
[N:11]([C:12]1:[C:13]([H:52]):[C:14]([H:53]):[N:15]([C@:16]2([H:54])[O:17][C@@:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:55])[O:24][P:25](=[O:26])([O:27][H:56])[O:28][P:29](=[O:30])([O:31][H:57])[O:32][H:58])([H:59])[H:60])([H:61])[C@:33]([O:34][H:62])([H:63])[C@:35]2([O:36][H:64])[H:65]):[C:37](=[O:38]):[N:39]:1)([H:66])[H:67]>>[H]OC(=O)C([H])([H])[C@@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])O[P:29](=[O:30])([O:31][H:57])[O:32][H:58].[H][O:28][P:25]([O:24][P:21]([O:20][C:19]([C@@:18]1([H:61])[O:17][C@:16]([N:15]2:[C:14]([H:53]):[C:13]([H:52]):[C:12]([N:11]([H:66])[H:67]):[N:39]:[C:37]:2=[O:38])([H:54])[C@@:35]([O:36][H:64])([H:65])[C@@:33]1([O:34][H:62])[H:63])([H:59])[H:60])(=[O:22])[O:23][H:55])(=[O:26])[O:27][H:56]
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-C1083 - Reaction Operator C
([#8:31]-[#15:32].[#6@:36]-[#6@:38])>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[#8]-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8]-[#15:32].([H]-[#8:31].[#6@@:38]-[#6@@:36])
EVODEX.1-N1332 - Reaction Operator N
([#15:28]-[#8:31]-[#15:32](=[#8:33])(-[#8:34])-[#8:35].[#8:37]-[#6@@:36](-[#6@@:21])(-[H:65])-[#6@:38](-[#6@:19])(-[#8:39])-[H:67])>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[#8]-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8]-[#15:32](=[#8:33])(-[#8:34])-[#8:35].([H]-[#8:31]-[#15:28].[#8:39]-[#6@:38](-[#6@:19])(-[H:67])-[#6@@:36](-[#6@@:21])(-[#8:37])-[H:65])
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-R4023
[H][O:6][C:5]([C:4]([C@@:2]([C:1]([H:49])([H:50])[H:51])([O:3][H:40])[C:7]([C:8](=[O:9])[O:10][H:46])([H:47])[H:48])([H:44])[H:45])([H:42])[H:43].[N:11]([C:12]1:[C:13]([H:52]):[C:14]([H:53]):[N:15]([C@:16]2([H:54])[O:17][C@@:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:55])[O:24][P:25](=[O:26])([O:27][H:56])[O:28][P:29](=[O:30])([O:31][H:57])[O:32][H:58])([H:59])[H:60])([H:61])[C@:33]([O:34][H:62])([H:63])[C@:35]2([O:36][H:64])[H:65]):[C:37](=[O:38]):[N:39]:1)([H:66])[H:67]>>[C:1]([C@@:2]([O:3][H:40])([C:4]([C:5]([O:6][P:29](=[O:30])([O:31][H:57])[O:32][H:58])([H:42])[H:43])([H:44])[H:45])[C:7]([C:8](=[O:9])[O:10][H:46])([H:47])[H:48])([H:49])([H:50])[H:51].[H][O:28][P:25]([O:24][P:21]([O:20][C:19]([C@@:18]1([H:61])[O:17][C@:16]([N:15]2:[C:14]([H:53]):[C:13]([H:52]):[C:12]([N:11]([H:66])[H:67]):[N:39]:[C:37]:2=[O:38])([H:54])[C@@:35]([O:36][H:64])([H:65])[C@@:33]1([O:34][H:62])[H:63])([H:59])[H:60])(=[O:22])[O:23][H:55])(=[O:26])[O:27][H:56]