SMIRKS
[H][O:20][P:18]([O:17][C:16]([C@:15]1([H:56])[C@:13]([O:14][H:50])([H:51])[C:12]([H:48])([H:49])[C@@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:45]):[N:3]:[C:2]([N:1]([H:57])[H:58]):[C:7]:3:[N:8]:[C:9]:2[H:46])([H:47])[O:22]1)([H:54])[H:55])(=[O:19])[O:21][H:53].[H]O[C@@]1([H])[C@@]([H])(O[P:33](=[O:34])([O:35][H:62])[O:36][P:37](=[O:38])([O:39][H:63])[O:40][H:64])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:45]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:46]):[N:10]:2[C@@:11]1([H:47])[C:12]([H:48])([H:49])[C@@:13]([O:14][H:50])([H:51])[C@:15]([C:16]([O:17][P:18](=[O:19])([O:20][P:33](=[O:34])([O:35][H:62])[O:36][P:37](=[O:38])([O:39][H:63])[O:40][H:64])[O:21][H:53])([H:54])[H:55])([H:56])[O:22]1)([H:57])[H:58]
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-C1337 - Reaction Operator C
([H]-[#8:20].[#6@:13]).[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[#15:33])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@]-1(-[H])-[#8]-[H]>>([#8:20]-[#15:33].[#6@@:13])
EVODEX.1-N1690 - Reaction Operator N
([H]-[#8:20]-[#15:18].[#8:14]-[#6@@:13](-[#6@:15])(-[H:51])-[#6:12]).[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[#15:33](=[#8:34])(-[#8:35])-[#8:36])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@]-1(-[H])-[#8]-[H]>>([#6:12]-[#6@@:13](-[#8:14])(-[H:51])-[#6@:15].[#15:18]-[#8:20]-[#15:33](=[#8:34])(-[#8:35])-[#8:36])
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-R4323
[H][O:20][P:18]([O:17][C:16]([C@:15]1([H:56])[C@:13]([O:14][H:50])([H:51])[C:12]([H:48])([H:49])[C@@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:45]):[N:3]:[C:2]([N:1]([H:57])[H:58]):[C:7]:3:[N:8]:[C:9]:2[H:46])([H:47])[O:22]1)([H:54])[H:55])(=[O:19])[O:21][H:53].[O:23]=[P:24]([O:25][H:59])([O:26][H:60])[O:27][C:28]([C@@:29]1([H:61])[O:30][C@@:31]([O:32][P:33](=[O:34])([O:35][H:62])[O:36][P:37](=[O:38])([O:39][H:63])[O:40][H:64])([H:65])[C@@:41]([O:42][H:66])([H:67])[C@@:43]1([O:44][H:68])[H:69])([H:70])[H:71]>>[N:1]([C:2]1:[N:3]:[C:4]([H:45]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:46]):[N:10]:2[C@@:11]1([H:47])[C:12]([H:48])([H:49])[C@@:13]([O:14][H:50])([H:51])[C@:15]([C:16]([O:17][P:18](=[O:19])([O:20][P:33](=[O:34])([O:35][H:62])[O:36][P:37](=[O:38])([O:39][H:63])[O:40][H:64])[O:21][H:53])([H:54])[H:55])([H:56])[O:22]1)([H:57])[H:58].[H][O:32][C:31]1([H:65])[O:30][C@@:29]([C:28]([O:27][P:24](=[O:23])([O:25][H:59])[O:26][H:60])([H:70])[H:71])([H:61])[C@:43]([O:44][H:68])([H:69])[C@:41]1([O:42][H:66])[H:67]