SMIRKS
[H][N:5]([C@@:4]([C@@:2]([C:1]([H:52])([H:53])[H:54])([O:3][H:46])[H:51])([C:6](=[O:7])[O:8][H:49])[H:50])[H:47].[H]OP(=O)(O[H])O[P:34]([O:33][P:30]([O:29][C:28]([C@@:27]1([H:64])[O:26][C@:25]([N:24]2:[C:20]3:[N:19]:[C:18]([H:55]):[N:17]:[C:16]([N:15]([H:69])[H:70]):[C:21]:3:[N:22]:[C:23]:2[H:56])([H:57])[C@@:44]([O:45][H:67])([H:68])[C@@:42]1([O:43][H:65])[H:66])([H:62])[H:63])(=[O:31])[O:32][H:58])(=[O:35])[O:36][H:59]>>[H]N([H])C([H])([H])C([H])([H])C(=O)[N:5]([C@@:4]([C@@:2]([C:1]([H:52])([H:53])[H:54])([O:3][H:46])[H:51])([C:6](=[O:7])[O:8][H:49])[H:50])[H:47].[H]O[P:34]([O:33][P:30]([O:29][C:28]([C@@:27]1([H:64])[O:26][C@:25]([N:24]2:[C:20]3:[N:19]:[C:18]([H:55]):[N:17]:[C:16]([N:15]([H:69])[H:70]):[C:21]:3:[N:22]:[C:23]:2[H:56])([H:57])[C@@:44]([O:45][H:67])([H:68])[C@@:42]1([O:43][H:65])[H:66])([H:62])[H:63])(=[O:31])[O:32][H:58])(=[O:35])[O:36][H:59]
Derived Operators
EVODEX.1-F546 - Elemental Balance
| P | -1 |
| O | -2 |
| C | 3 |
| N | 1 |
| H | 4 |
EVODEX.1-M171 - Mass Difference
-8.929179999999999
EVODEX.1-E1366 - Reaction Operator E
[#7:5](-[#6@:4])(-[H:49])-[H].([#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H].[#8:43]-[#6@@:42](-[#6@@:27])(-[H:68])-[#6@:44](-[#6@:25])(-[#8:45])-[H:70])>>[#7:5](-[#6@:4])(-[#6](-[#6](-[#6](-[#7](-[H])-[H])(-[H])-[H])(-[H])-[H])=[#8])-[H:49].([#8]-[H].[#8:45]-[#6@:44](-[#6@:25])(-[H:70])-[#6@@:42](-[#6@@:27])(-[#8:43])-[H:68])
EVODEX.1-C1033 - Reaction Operator C
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8].[H]-[#7:7]>>[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:7].[H]-[#8]
EVODEX.1-N1287 - Reaction Operator N
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8].[H]-[#7:7](-[#6@@:8])-[H:86]>>[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:7](-[#6@@:8])-[H:86].[H]-[#8]
Source Full Reactions
EVODEX.1-R7800
[H][N:5]([C@@:4]([C@@:2]([C:1]([H:52])([H:53])[H:54])([O:3][H:46])[H:51])([C:6](=[O:7])[O:8][H:49])[H:50])[H:47].[N:15]([C:16]1:[N:17]:[C:18]([H:55]):[N:19]:[C:20]2:[C:21]:1:[N:22]:[C:23]([H:56]):[N:24]:2[C@:25]1([H:57])[O:26][C@@:27]([C:28]([O:29][P:30](=[O:31])([O:32][H:58])[O:33][P:34](=[O:35])([O:36][H:59])[O:37][P:38](=[O:39])([O:40][H:60])[O:41][H:61])([H:62])[H:63])([H:64])[C@:42]([O:43][H:65])([H:66])[C@:44]1([O:45][H:67])[H:68])([H:69])[H:70].[N:9]([C:10]([C:11]([C:12](=[O:13])[O:14][H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77]>>[C:1]([C@@:2]([O:3][H:46])([C@:4]([N:5]([C:12]([C:11]([C:10]([N:9]([H:76])[H:77])([H:74])[H:75])([H:72])[H:73])=[O:13])[H:47])([C:6](=[O:7])[O:8][H:49])[H:50])[H:51])([H:52])([H:53])[H:54].[O:14]([P:34]([O:33][P:30]([O:29][C:28]([C@@:27]1([H:64])[O:26][C@:25]([N:24]2:[C:20]3:[N:19]:[C:18]([H:55]):[N:17]:[C:16]([N:15]([H:69])[H:70]):[C:21]:3:[N:22]:[C:23]:2[H:56])([H:57])[C@@:44]([O:45][H:67])([H:68])[C@@:42]1([O:43][H:65])[H:66])([H:62])[H:63])(=[O:31])[O:32][H:58])(=[O:35])[O:36][H:59])[H:71].[H][O:37][P:38](=[O:39])([O:40][H:60])[O:41][H:61]