SMIRKS
[H][O:18][P:16]([C:15]([O:14][C@@:2]([C:1]([H:53])([H:54])[H:55])([C:3]([N:4]1:[C:5]([H:42]):[N:6]:[C:7]2:[C:8]([N:9]([H:43])[H:44]):[N:10]:[C:11]([H:45]):[N:12]:[C:13]:1:2)([H:46])[H:47])[H:52])([H:50])[H:51])(=[O:17])[O:19][H:49].[H]O[C@@]1([H])[C@@]([H])(O[P:30](=[O:31])([O:32][H:59])[O:33][P:34](=[O:35])([O:36][H:60])[O:37][H:61])O[C@]([H])(C([H])([H])OP(=O)(O[H])O[H])[C@@]1([H])O[H]>>[C:1]([C@@:2]([C:3]([N:4]1:[C:5]([H:42]):[N:6]:[C:7]2:[C:8]([N:9]([H:43])[H:44]):[N:10]:[C:11]([H:45]):[N:12]:[C:13]:1:2)([H:46])[H:47])([O:14][C:15]([P:16](=[O:17])([O:18][P:30](=[O:31])([O:32][H:59])[O:33][P:34](=[O:35])([O:36][H:60])[O:37][H:61])[O:19][H:49])([H:50])[H:51])[H:52])([H:53])([H:54])[H:55]
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-R4330
[H][O:18][P:16]([C:15]([O:14][C@@:2]([C:1]([H:53])([H:54])[H:55])([C:3]([N:4]1:[C:5]([H:42]):[N:6]:[C:7]2:[C:8]([N:9]([H:43])[H:44]):[N:10]:[C:11]([H:45]):[N:12]:[C:13]:1:2)([H:46])[H:47])[H:52])([H:50])[H:51])(=[O:17])[O:19][H:49].[O:20]=[P:21]([O:22][H:56])([O:23][H:57])[O:24][C:25]([C@@:26]1([H:58])[O:27][C@@:28]([O:29][P:30](=[O:31])([O:32][H:59])[O:33][P:34](=[O:35])([O:36][H:60])[O:37][H:61])([H:62])[C@@:38]([O:39][H:63])([H:64])[C@@:40]1([O:41][H:65])[H:66])([H:67])[H:68]>>[C:1]([C@@:2]([C:3]([N:4]1:[C:5]([H:42]):[N:6]:[C:7]2:[C:8]([N:9]([H:43])[H:44]):[N:10]:[C:11]([H:45]):[N:12]:[C:13]:1:2)([H:46])[H:47])([O:14][C:15]([P:16](=[O:17])([O:18][P:30](=[O:31])([O:32][H:59])[O:33][P:34](=[O:35])([O:36][H:60])[O:37][H:61])[O:19][H:49])([H:50])[H:51])[H:52])([H:53])([H:54])[H:55].[H][O:29][C:28]1([H:62])[O:27][C@@:26]([C:25]([O:24][P:21](=[O:20])([O:22][H:56])[O:23][H:57])([H:67])[H:68])([H:58])[C@:40]([O:41][H:65])([H:66])[C@:38]1([O:39][H:63])[H:64]