SMIRKS
[H][O:7][C:6]([C:5]([N+:2]([C:1]([H:48])([H:49])[H:50])([C:3]([H:37])([H:38])[H:39])[C:4]([H:40])([H:41])[H:42])([H:46])[H:47])([H:44])[H:45].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):C([H]):C(N([H])[H]):N:C:2=O)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[P:26](=[O:27])([O:28][H:56])[O:29][H:57]>>[C:1]([N+:2]([C:3]([H:37])([H:38])[H:39])([C:4]([H:40])([H:41])[H:42])[C:5]([C:6]([O:7][P:26](=[O:27])([O:28][H:56])[O:29][H:57])([H:44])[H:45])([H:46])[H:47])([H:48])([H:49])[H:50]
Derived Operators
EVODEX.1-F401 - Elemental Balance
| P | -2 |
| O | -11 |
| C | -9 |
| N | -3 |
| H | -15 |
EVODEX.1-M394 - Mass Difference
-403.01825
EVODEX.1-E1207 - Reaction Operator E
[#7](-[#6]1:[#6](-[H]):[#6](-[H]):[#7](-[#6@]2(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:19](=[#8:20])(-[#8:21])-[#8:22])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-2(-[#8]-[H])-[H]):[#6](=[#8]):[#7]:1)(-[H])-[H].[#6:31]-[#8:32]-[H]>>[#15:19](=[#8:20])(-[#8:21])(-[#8:22])-[#8:32]-[#6:31]
EVODEX.1-C469 - Reaction Operator C
[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:19].[H]-[#8:32]>>[#15:19]-[#8:32]
EVODEX.1-N572 - Reaction Operator N
[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:19](=[#8:20])(-[#8:21])-[#8:22].[H]-[#8:32]-[#6:31]>>[#15:19](=[#8:20])(-[#8:21])(-[#8:22])-[#8:32]-[#6:31]
EVODEX.1-Em5 - Reaction Operator Em
[#15]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[H]-[#8:34]-[#6:33]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:34]-[#6:33]
EVODEX.1-Nm6 - Reaction Operator Nm
[#15]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[H]-[#8:34]-[#6:33]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:34]-[#6:33]
Source Full Reactions
EVODEX.1-R4017
[H][O:7][C:6]([C:5]([N+:2]([C:1]([H:48])([H:49])[H:50])([C:3]([H:37])([H:38])[H:39])[C:4]([H:40])([H:41])[H:42])([H:46])[H:47])([H:44])[H:45].[N:8]([C:9]1:[C:10]([H:51]):[C:11]([H:52]):[N:12]([C@:13]2([H:53])[O:14][C@@:15]([C:16]([O:17][P:18](=[O:19])([O:20][H:54])[O:21][P:22](=[O:23])([O:24][H:55])[O:25][P:26](=[O:27])([O:28][H:56])[O:29][H:57])([H:58])[H:59])([H:60])[C@:30]([O:31][H:61])([H:62])[C@:32]2([O:33][H:63])[H:64]):[C:34](=[O:35]):[N:36]:1)([H:65])[H:66]>>[C:1]([N+:2]([C:3]([H:37])([H:38])[H:39])([C:4]([H:40])([H:41])[H:42])[C:5]([C:6]([O:7][P:26](=[O:27])([O:28][H:56])[O:29][H:57])([H:44])[H:45])([H:46])[H:47])([H:48])([H:49])[H:50].[H][O:25][P:22]([O:21][P:18]([O:17][C:16]([C@@:15]1([H:60])[O:14][C@:13]([N:12]2:[C:11]([H:52]):[C:10]([H:51]):[C:9]([N:8]([H:65])[H:66]):[N:36]:[C:34]:2=[O:35])([H:53])[C@@:32]([O:33][H:63])([H:64])[C@@:30]1([O:31][H:61])[H:62])([H:58])[H:59])(=[O:19])[O:20][H:54])(=[O:23])[O:24][H:55]