SMIRKS
[H][N:1]([C:2]([C:3](=[O:4])[O:5][H:45])([H:46])[H:47])[H:48].[H]OP(=O)(O[H])O[P:25]([O:24][P:21]([O:20][C:19]([C@@:18]1([H:59])[O:17][C@:16]([N:15]2:[C:11]3:[N:10]:[C:9]([H:50]):[N:8]:[C:7]([N:6]([H:64])[H:65]):[C:12]:3:[N:13]:[C:14]:2[H:51])([H:52])[C@@:35]([O:36][H:62])([H:63])[C@@:33]1([O:34][H:60])[H:61])([H:57])[H:58])(=[O:22])[O:23][H:53])(=[O:26])[O:27][H:54]>>[H]O[P:25]([O:24][P:21]([O:20][C:19]([C@@:18]1([H:59])[O:17][C@:16]([N:15]2:[C:11]3:[N:10]:[C:9]([H:50]):[N:8]:[C:7]([N:6]([H:64])[H:65]):[C:12]:3:[N:13]:[C:14]:2[H:51])([H:52])[C@@:35]([O:36][H:62])([H:63])[C@@:33]1([O:34][H:60])[H:61])([H:57])[H:58])(=[O:22])[O:23][H:53])(=[O:26])[O:27][H:54].[H]N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)[N:1]([C:2]([C:3](=[O:4])[O:5][H:45])([H:46])[H:47])[H:48]
Derived Operators
EVODEX.1-F567 - Elemental Balance
| P | -1 |
| O | -2 |
| C | 5 |
| N | 1 |
| H | 6 |
EVODEX.1-M535 - Mass Difference
17.08648
EVODEX.1-E1390 - Reaction Operator E
[#7:5](-[#6@:4])(-[H:51])-[H].[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H]>>[#7:5](-[#6@:4])(-[#6](=[#8])-[#6@]1(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7]-1-[H])-[H:51].[#8]-[H]
EVODEX.1-C846 - Reaction Operator C
[H]-[#7:6].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]>>[H]-[#7]1-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#6](=[#8])-[#7:6].[H]-[#8]
EVODEX.1-N1057 - Reaction Operator N
[H]-[#7:6](-[#6@@:5])-[H:49].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]>>[H]-[#7]1-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#6](=[#8])-[#7:6](-[#6@@:5])-[H:49].[H]-[#8]
Source Full Reactions
EVODEX.1-R7793
[H][N:1]([C:2]([C:3](=[O:4])[O:5][H:45])([H:46])[H:47])[H:48].[N:6]([C:7]1:[N:8]:[C:9]([H:50]):[N:10]:[C:11]2:[C:12]:1:[N:13]:[C:14]([H:51]):[N:15]:2[C@:16]1([H:52])[O:17][C@@:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:53])[O:24][P:25](=[O:26])([O:27][H:54])[O:28][P:29](=[O:30])([O:31][H:55])[O:32][H:56])([H:57])[H:58])([H:59])[C@:33]([O:34][H:60])([H:61])[C@:35]1([O:36][H:62])[H:63])([H:64])[H:65].[O:37]=[C:38]([O:39][H:66])[C@:40]1([H:67])[C:41]([H:68])([H:69])[C:42]([H:70])([H:71])[C:43]([H:72])([H:73])[N:44]1[H:74]>>[N:6]([C:7]1:[N:8]:[C:9]([H:50]):[N:10]:[C:11]2:[C:12]:1:[N:13]:[C:14]([H:51]):[N:15]:2[C@:16]1([H:52])[O:17][C@@:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:53])[O:24][P:25](=[O:26])([O:27][H:54])[O:39][H:66])([H:57])[H:58])([H:59])[C@:33]([O:34][H:60])([H:61])[C@:35]1([O:36][H:62])[H:63])([H:64])[H:65].[N:1]([C:2]([C:3](=[O:4])[O:5][H:45])([H:46])[H:47])([C:38](=[O:37])[C@:40]1([H:67])[C:41]([H:68])([H:69])[C:42]([H:70])([H:71])[C:43]([H:72])([H:73])[N:44]1[H:74])[H:48].[H][O:28][P:29](=[O:30])([O:31][H:55])[O:32][H:56]