SMIRKS
[H][O:17][P:15]([C:14]([O:13][C:12]([C:11]([N:10]1:[C:6]2:[N:5]:[C:4]([H:41]):[N:3]:[C:2]([N:1]([H:51])[H:52]):[C:7]:2:[N:8]:[C:9]:1[H:42])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])(=[O:16])[O:18][H:44].[H]O[C@@]1([H])[C@@]([H])(O[P:29](=[O:30])([O:31][H:56])[O:32][P:33](=[O:34])([O:35][H:57])[O:36][H:58])O[C@]([H])(C([H])([H])OP(=O)(O[H])O[H])[C@@]1([H])O[H]>>[N:1]([C:2]1:[N:3]:[C:4]([H:41]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:42]):[N:10]:2[C:11]([C:12]([O:13][C:14]([P:15](=[O:16])([O:17][P:29](=[O:30])([O:31][H:56])[O:32][P:33](=[O:34])([O:35][H:57])[O:36][H:58])[O:18][H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52]
Derived Operators
EVODEX.1-F312 - Elemental Balance
| C | -5 |
| P | -1 |
| O | -8 |
| H | -11 |
EVODEX.1-M326 - Mass Difference
-230.01913
EVODEX.1-E1085 - Reaction Operator E
[#15:16]-[#8:18]-[H].[#8]=[#15](-[#8]-[H])(-[#8]-[H])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@@](-[#8]-[#15:30](=[#8:31])(-[#8:32])-[#8:33])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#15:16]-[#8:18]-[#15:30](=[#8:31])(-[#8:32])-[#8:33]
EVODEX.1-C1102 - Reaction Operator C
[H]-[#8:18].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[#15:30])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@]-1(-[H])-[#8]-[H]>>[#8:18]-[#15:30]
EVODEX.1-N1354 - Reaction Operator N
[H]-[#8:18]-[#15:16].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[#15:30](=[#8:31])(-[#8:32])-[#8:33])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@]-1(-[H])-[#8]-[H]>>[#15:16]-[#8:18]-[#15:30](=[#8:31])(-[#8:32])-[#8:33]
EVODEX.1-Em563 - Reaction Operator Em
[H]-[#8:18]-[#15:16].[#6]-[#8]-[#15:30](=[#8:31])(-[#8:32])-[#8:33]>>[#15:16]-[#8:18]-[#15:30](=[#8:31])(-[#8:32])-[#8:33]
EVODEX.1-Nm509 - Reaction Operator Nm
[H]-[#8:18]-[#15:16].[#6]-[#8]-[#15:30](=[#8:31])(-[#8:32])-[#8:33]>>[#15:16]-[#8:18]-[#15:30](=[#8:31])(-[#8:32])-[#8:33]
Source Full Reactions
EVODEX.1-R4325
[H][O:17][P:15]([C:14]([O:13][C:12]([C:11]([N:10]1:[C:6]2:[N:5]:[C:4]([H:41]):[N:3]:[C:2]([N:1]([H:51])[H:52]):[C:7]:2:[N:8]:[C:9]:1[H:42])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])(=[O:16])[O:18][H:44].[O:19]=[P:20]([O:21][H:53])([O:22][H:54])[O:23][C:24]([C@@:25]1([H:55])[O:26][C@@:27]([O:28][P:29](=[O:30])([O:31][H:56])[O:32][P:33](=[O:34])([O:35][H:57])[O:36][H:58])([H:59])[C@@:37]([O:38][H:60])([H:61])[C@@:39]1([O:40][H:62])[H:63])([H:64])[H:65]>>[N:1]([C:2]1:[N:3]:[C:4]([H:41]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:42]):[N:10]:2[C:11]([C:12]([O:13][C:14]([P:15](=[O:16])([O:17][P:29](=[O:30])([O:31][H:56])[O:32][P:33](=[O:34])([O:35][H:57])[O:36][H:58])[O:18][H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52].[H][O:28][C:27]1([H:59])[O:26][C@@:25]([C:24]([O:23][P:20](=[O:19])([O:21][H:53])[O:22][H:54])([H:64])[H:65])([H:55])[C@:39]([O:40][H:62])([H:63])[C@:37]1([O:38][H:60])[H:61]