SMIRKS
[H]OP(=O)(O[H])OP(=O)(O[H])O[P:34]([O:33][C:32]([C@@:31]1([H:66])[O:30][C@:29]([N:28]2:[C:24]3:[N:23]:[C:22]([H:57]):[N:21]:[C:20]([N:19]([H:71])[H:72]):[C:25]:3:[N:26]:[C:27]:2[H:58])([H:59])[C@@:48]([O:49][H:69])([H:70])[C@@:46]1([O:47][H:67])[H:68])([H:64])[H:65])(=[O:35])[O:36][H:60].[H][N:9]([C@@:8]([C:7]([C:6]([O:5][N:4]([C:2](=[N:1][H:84])[N:3]([H:73])[H:74])[H:83])([H:81])[H:82])([H:79])[H:80])([C:10](=[O:11])[O:12][H:77])[H:78])[H:75]>>[H]N([H])C([H])([H])C([H])([H])C(=O)[N:9]([C@@:8]([C:7]([C:6]([O:5][N:4]([C:2](=[N:1][H:84])[N:3]([H:73])[H:74])[H:83])([H:81])[H:82])([H:79])[H:80])([C:10](=[O:11])[O:12][H:77])[H:78])[H:75].[H]O[P:34]([O:33][C:32]([C@@:31]1([H:66])[O:30][C@:29]([N:28]2:[C:24]3:[N:23]:[C:22]([H:57]):[N:21]:[C:20]([N:19]([H:71])[H:72]):[C:25]:3:[N:26]:[C:27]:2[H:58])([H:59])[C@@:48]([O:49][H:69])([H:70])[C@@:46]1([O:47][H:67])[H:68])([H:64])[H:65])(=[O:35])[O:36][H:60]
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-R7585
[N:13]([C:14]([C:15]([C:16](=[O:17])[O:18][H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56].[N:19]([C:20]1:[N:21]:[C:22]([H:57]):[N:23]:[C:24]2:[C:25]:1:[N:26]:[C:27]([H:58]):[N:28]:2[C@:29]1([H:59])[O:30][C@@:31]([C:32]([O:33][P:34](=[O:35])([O:36][H:60])[O:37][P:38](=[O:39])([O:40][H:61])[O:41][P:42](=[O:43])([O:44][H:62])[O:45][H:63])([H:64])[H:65])([H:66])[C@:46]([O:47][H:67])([H:68])[C@:48]1([O:49][H:69])[H:70])([H:71])[H:72].[H][N:9]([C@@:8]([C:7]([C:6]([O:5][N:4]([C:2](=[N:1][H:84])[N:3]([H:73])[H:74])[H:83])([H:81])[H:82])([H:79])[H:80])([C:10](=[O:11])[O:12][H:77])[H:78])[H:75]>>[N:1](=[C:2]([N:3]([H:73])[H:74])[N:4]([O:5][C:6]([C:7]([C@:8]([N:9]([C:16]([C:15]([C:14]([N:13]([H:55])[H:56])([H:53])[H:54])([H:51])[H:52])=[O:17])[H:75])([C:10](=[O:11])[O:12][H:77])[H:78])([H:79])[H:80])([H:81])[H:82])[H:83])[H:84].[O:18]([P:34]([O:33][C:32]([C@@:31]1([H:66])[O:30][C@:29]([N:28]2:[C:24]3:[N:23]:[C:22]([H:57]):[N:21]:[C:20]([N:19]([H:71])[H:72]):[C:25]:3:[N:26]:[C:27]:2[H:58])([H:59])[C@@:48]([O:49][H:69])([H:70])[C@@:46]1([O:47][H:67])[H:68])([H:64])[H:65])(=[O:35])[O:36][H:60])[H:50].[H][O:37][P:38](=[O:39])([O:40][H:61])[O:41][P:42](=[O:43])([O:44][H:62])[O:45][H:63]