SMIRKS
[H]OP(=O)(O[H])O[P:37]([O:36][P:33]([O:32][C:31]([C@@:30]1([H:58])[O:29][C@:28]([N:27]2:[C:23]3:[N:22]:[C:21]([H:49]):[N:20]:[C:19]([N:18]([H:63])[H:64]):[C:24]:3:[N:25]:[C:26]:2[H:50])([H:51])[C@@:47]([O:48][H:61])([H:62])[C@@:45]1([O:46][H:59])[H:60])([H:56])[H:57])(=[O:34])[O:35][H:52])(=[O:38])[O:39][H:53].[H][N:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[O:7][H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])[H:72]>>[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C(=O)[N:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[O:7][H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])[H:72].[H]O[P:37]([O:36][P:33]([O:32][C:31]([C@@:30]1([H:58])[O:29][C@:28]([N:27]2:[C:23]3:[N:22]:[C:21]([H:49]):[N:20]:[C:19]([N:18]([H:63])[H:64]):[C:24]:3:[N:25]:[C:26]:2[H:50])([H:51])[C@@:47]([O:48][H:61])([H:62])[C@@:45]1([O:46][H:59])[H:60])([H:56])[H:57])(=[O:34])[O:35][H:52])(=[O:38])[O:39][H:53]
Derived Operators
EVODEX.1-F416 - Elemental Balance
| P | -1 |
| C | 5 |
| N | 1 |
| H | 6 |
EVODEX.1-M161 - Mass Difference
49.07628
EVODEX.1-E1224 - Reaction Operator E
[#7:1](-[#6:2])(-[H:70])-[H].([#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H].[#8:49]-[#6@@:48](-[#6@@:33])(-[H:83])-[#6@:50](-[#6@:31])(-[#8:51])-[H:85])>>[#7:1](-[#6:2])(-[#6](-[#6](-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])=[#8])-[H:70].([#8]-[H].[#8:51]-[#6@:50](-[#6@:31])(-[H:85])-[#6@@:48](-[#6@@:33])(-[#8:49])-[H:83])
EVODEX.1-C791 - Reaction Operator C
[H]-[#7:6].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:6].[H]-[#8]
EVODEX.1-N1002 - Reaction Operator N
[H]-[#7:6](-[#6@@:5])-[H:54].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:6](-[#6@@:5])-[H:54].[H]-[#8]
Source Full Reactions
EVODEX.1-R7660
[N:18]([C:19]1:[N:20]:[C:21]([H:49]):[N:22]:[C:23]2:[C:24]:1:[N:25]:[C:26]([H:50]):[N:27]:2[C@:28]1([H:51])[O:29][C@@:30]([C:31]([O:32][P:33](=[O:34])([O:35][H:52])[O:36][P:37](=[O:38])([O:39][H:53])[O:40][P:41](=[O:42])([O:43][H:54])[O:44][H:55])([H:56])[H:57])([H:58])[C@:45]([O:46][H:59])([H:60])[C@:47]1([O:48][H:61])[H:62])([H:63])[H:64].[H][N:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[O:7][H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])[H:72].[N:8]([C@@:9]([C:10]([C:11]([C:12](=[O:13])[O:14][H:74])([H:75])[H:76])([H:77])[H:78])([C:15](=[O:16])[O:17][H:79])[H:80])([H:81])[H:82]>>[N:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[O:7][H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([C:12]([C:11]([C:10]([C@:9]([N:8]([H:81])[H:82])([C:15](=[O:16])[O:17][H:79])[H:80])([H:77])[H:78])([H:75])[H:76])=[O:13])[H:72].[O:14]([P:37]([O:36][P:33]([O:32][C:31]([C@@:30]1([H:58])[O:29][C@:28]([N:27]2:[C:23]3:[N:22]:[C:21]([H:49]):[N:20]:[C:19]([N:18]([H:63])[H:64]):[C:24]:3:[N:25]:[C:26]:2[H:50])([H:51])[C@@:47]([O:48][H:61])([H:62])[C@@:45]1([O:46][H:59])[H:60])([H:56])[H:57])(=[O:34])[O:35][H:52])(=[O:38])[O:39][H:53])[H:74].[H][O:40][P:41](=[O:42])([O:43][H:54])[O:44][H:55]