SMIRKS
[H]OP(=O)(O[H])OP(=O)(O[H])O[P:28]([O:27][C:26]([C@@:25]1([H:56])[O:24][C@:23]([N:22]2:[C:21]([H:48]):[C:20]([H:47]):[C:19]([N:18]([H:61])[H:62]):[N:46]:[C:44]:2=[O:45])([H:49])[C@@:42]([O:43][H:59])([H:60])[C@@:40]1([O:41][H:57])[H:58])([H:54])[H:55])(=[O:29])[O:30][H:50].[H][N:7]([C@@:8]([C:9]([C:10]1:[C:11]([H:70]):[N:12]:[C:13]([H:71]):[N:14]:1[H:72])([H:73])[H:74])([C:15](=[O:16])[O:17][H:75])[H:76])[H:77]>>[H]N([H])C([H])([H])C([H])([H])C(=O)[N:7]([C@@:8]([C:9]([C:10]1:[C:11]([H:70]):[N:12]:[C:13]([H:71]):[N:14]:1[H:72])([H:73])[H:74])([C:15](=[O:16])[O:17][H:75])[H:76])[H:77].[H]O[P:28]([O:27][C:26]([C@@:25]1([H:56])[O:24][C@:23]([N:22]2:[C:21]([H:48]):[C:20]([H:47]):[C:19]([N:18]([H:61])[H:62]):[N:46]:[C:44]:2=[O:45])([H:49])[C@@:42]([O:43][H:59])([H:60])[C@@:40]1([O:41][H:57])[H:58])([H:54])[H:55])(=[O:29])[O:30][H:50]
Derived Operators
EVODEX.1-F449 - Elemental Balance
| P | -2 |
| O | -5 |
| C | 3 |
| N | 1 |
| H | 3 |
EVODEX.1-M432 - Mass Difference
-88.89551
EVODEX.1-E1258 - Reaction Operator E
([#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H].[#8:41]-[#6@@:40](-[#6@@:25])(-[H:58])-[#6@:42](-[#6@:23])(-[#8:43])-[H:60]).[#7:7](-[#6@@:8])(-[H:77])-[H]>>[#7](-[#6](-[#6](-[#6](=[#8])-[#7:7](-[#6@@:8])-[H:77])(-[H])-[H])(-[H])-[H])(-[H])-[H].([#8]-[H].[#8:43]-[#6@:42](-[#6@:23])(-[H:60])-[#6@@:40](-[#6@@:25])(-[#8:41])-[H:58])
EVODEX.1-C798 - Reaction Operator C
[H]-[#8]-[#15](=[#8])(-[#8]-[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-N1009 - Reaction Operator N
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8].[H]-[#7:7](-[#6@@:8])-[H:77]>>[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:7](-[#6@@:8])-[H:77].[H]-[#8]
Source Full Reactions
EVODEX.1-R7587
[N:18]([C:19]1:[C:20]([H:47]):[C:21]([H:48]):[N:22]([C@:23]2([H:49])[O:24][C@@:25]([C:26]([O:27][P:28](=[O:29])([O:30][H:50])[O:31][P:32](=[O:33])([O:34][H:51])[O:35][P:36](=[O:37])([O:38][H:52])[O:39][H:53])([H:54])[H:55])([H:56])[C@:40]([O:41][H:57])([H:58])[C@:42]2([O:43][H:59])[H:60]):[C:44](=[O:45]):[N:46]:1)([H:61])[H:62].[N:1]([C:2]([C:3]([C:4](=[O:5])[O:6][H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69].[H][N:7]([C@@:8]([C:9]([C:10]1:[C:11]([H:70]):[N:12]:[C:13]([H:71]):[N:14]:1[H:72])([H:73])[H:74])([C:15](=[O:16])[O:17][H:75])[H:76])[H:77]>>[N:1]([C:2]([C:3]([C:4](=[O:5])[N:7]([C@@:8]([C:9]([C:10]1:[C:11]([H:70]):[N:12]:[C:13]([H:71]):[N:14]:1[H:72])([H:73])[H:74])([C:15](=[O:16])[O:17][H:75])[H:76])[H:77])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69].[H][O:31][P:32](=[O:33])([O:34][H:51])[O:35][P:36](=[O:37])([O:38][H:52])[O:39][H:53].[O:6]([P:28]([O:27][C:26]([C@@:25]1([H:56])[O:24][C@:23]([N:22]2:[C:21]([H:48]):[C:20]([H:47]):[C:19]([N:18]([H:61])[H:62]):[N:46]:[C:44]:2=[O:45])([H:49])[C@@:42]([O:43][H:59])([H:60])[C@@:40]1([O:41][H:57])[H:58])([H:54])[H:55])(=[O:29])[O:30][H:50])[H:63]