SMIRKS
[N:11]([C:12]1:[C:13]([H:51]):[C:14]([H:52]):[N:15]([C@@:16]2([H:53])[C:17]([H:54])([H:55])[C@@:18]([O:19][H:56])([H:57])[C@:20]([C:21]([O:22][P:23](=[O:24])([O:25][H:58])[O:26][P:27](=[O:28])([O:29][H:59])[O:30][P:31](=[O:32])([O:33][H:60])[O:34][H:61])([H:62])[H:63])([H:64])[O:35]2):[C:36](=[O:37]):[N:38]:1)([H:65])[H:66]>>[H]OC(=O)C([H])([H])[C@@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])O[P:31](=[O:32])([O:33][H:60])[O:34][H:61].[H][O:30][P:27]([O:26][P:23]([O:22][C:21]([C@:20]1([H:64])[C@:18]([O:19][H:56])([H:57])[C:17]([H:54])([H:55])[C@@:16]([N:15]2:[C:14]([H:52]):[C:13]([H:51]):[C:12]([N:11]([H:65])[H:66]):[N:38]:[C:36]:2=[O:37])([H:53])[O:35]1)([H:62])[H:63])(=[O:24])[O:25][H:58])(=[O:28])[O:29][H:59]
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-R4027
[H][O:6][C:5]([C:4]([C@@:2]([C:1]([H:48])([H:49])[H:50])([O:3][H:39])[C:7]([C:8](=[O:9])[O:10][H:45])([H:46])[H:47])([H:43])[H:44])([H:41])[H:42].[N:11]([C:12]1:[C:13]([H:51]):[C:14]([H:52]):[N:15]([C@@:16]2([H:53])[C:17]([H:54])([H:55])[C@@:18]([O:19][H:56])([H:57])[C@:20]([C:21]([O:22][P:23](=[O:24])([O:25][H:58])[O:26][P:27](=[O:28])([O:29][H:59])[O:30][P:31](=[O:32])([O:33][H:60])[O:34][H:61])([H:62])[H:63])([H:64])[O:35]2):[C:36](=[O:37]):[N:38]:1)([H:65])[H:66]>>[C:1]([C@@:2]([O:3][H:39])([C:4]([C:5]([O:6][P:31](=[O:32])([O:33][H:60])[O:34][H:61])([H:41])[H:42])([H:43])[H:44])[C:7]([C:8](=[O:9])[O:10][H:45])([H:46])[H:47])([H:48])([H:49])[H:50].[H][O:30][P:27]([O:26][P:23]([O:22][C:21]([C@:20]1([H:64])[C@:18]([O:19][H:56])([H:57])[C:17]([H:54])([H:55])[C@@:16]([N:15]2:[C:14]([H:52]):[C:13]([H:51]):[C:12]([N:11]([H:65])[H:66]):[N:38]:[C:36]:2=[O:37])([H:53])[O:35]1)([H:62])[H:63])(=[O:24])[O:25][H:58])(=[O:28])[O:29][H:59]