SMIRKS
[N:10]([C:11]([C:12]([C:13](=[O:14])[O:15][H:60])([H:61])[H:62])([H:63])[H:64])([H:65])[H:66].[H]OP(=O)(O[H])O[P:35]([O:34][P:31]([O:30][C:29]([C@@:28]1([H:76])[O:27][C@:26]([N:25]2:[C:21]3:[N:20]:[C:19]([H:67]):[N:18]:[C:17]([N:16]([H:81])[H:82]):[C:22]:3:[N:23]:[C:24]:2[H:68])([H:69])[C@@:45]([O:46][H:79])([H:80])[C@@:43]1([O:44][H:77])[H:78])([H:74])[H:75])(=[O:32])[O:33][H:70])(=[O:36])[O:37][H:71]>>[H]OC(=O)[C@@]([H])(N([H])[C:13]([C:12]([C:11]([N:10]([H:65])[H:66])([H:63])[H:64])([H:61])[H:62])=[O:14])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H].[O:15]([P:35]([O:34][P:31]([O:30][C:29]([C@@:28]1([H:76])[O:27][C@:26]([N:25]2:[C:21]3:[N:20]:[C:19]([H:67]):[N:18]:[C:17]([N:16]([H:81])[H:82]):[C:22]:3:[N:23]:[C:24]:2[H:68])([H:69])[C@@:45]([O:46][H:79])([H:80])[C@@:43]1([O:44][H:77])[H:78])([H:74])[H:75])(=[O:32])[O:33][H:70])(=[O:36])[O:37][H:71])[H:60]
Derived Operators
EVODEX.1-F565 - Elemental Balance
| P | -1 |
| O | -2 |
| C | 6 |
| N | 1 |
| H | 10 |
EVODEX.1-M533 - Mass Difference
33.1178
EVODEX.1-E1388 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#8:44]-[H:109].([#8:72]-[#15:73](=[#8:74])(-[#8:75])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H].[#8:82]-[#6@@:81](-[#6@@:66])(-[H:140])-[#6@:83](-[#6@:64])(-[#8:84])-[H:142])>>[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6@@](-[#6@](-[#6](-[#6](-[H])(-[H])-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H].([#8:44](-[#15:73](-[#8:72])(=[#8:74])-[#8:75])-[H:109].[#8:84]-[#6@:83](-[#6@:64])(-[H:142])-[#6@@:81](-[#6@@:66])(-[#8:82])-[H:140])
EVODEX.1-C833 - Reaction Operator C
[#6:20]-[#8:22].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:42]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:20])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H].[#8:22]-[#15:42]
EVODEX.1-N1044 - Reaction Operator N
[#6:20](-[#6@@:11])(=[#8:21])-[#8:22]-[H:74].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:42](-[#8:41])(=[#8:43])-[#8:44]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:20](-[#6@@:11])=[#8:21])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H].[#8:22](-[#15:42](-[#8:41])(=[#8:43])-[#8:44])-[H:74]
EVODEX.1-Em25 - Reaction Operator Em
[#6:40]-[#6:42](=[#8:43])-[#8:44].[#15]-[#8]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[#8:44]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]
EVODEX.1-Nm25 - Reaction Operator Nm
[#6:40]-[#6:42](=[#8:43])-[#8:44].[#15]-[#8]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[#8:44]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]
Source Full Reactions
EVODEX.1-R7769
[H][N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:57])([H:58])[H:59])([H:55])[H:56])([C:4]([H:47])([H:48])[H:49])[H:54])([C:7](=[O:8])[O:9][H:52])[H:53])[H:50].[N:10]([C:11]([C:12]([C:13](=[O:14])[O:15][H:60])([H:61])[H:62])([H:63])[H:64])([H:65])[H:66].[N:16]([C:17]1:[N:18]:[C:19]([H:67]):[N:20]:[C:21]2:[C:22]:1:[N:23]:[C:24]([H:68]):[N:25]:2[C@:26]1([H:69])[O:27][C@@:28]([C:29]([O:30][P:31](=[O:32])([O:33][H:70])[O:34][P:35](=[O:36])([O:37][H:71])[O:38][P:39](=[O:40])([O:41][H:72])[O:42][H:73])([H:74])[H:75])([H:76])[C@:43]([O:44][H:77])([H:78])[C@:45]1([O:46][H:79])[H:80])([H:81])[H:82]>>[C:1]([C:2]([C@:3]([C:4]([H:47])([H:48])[H:49])([C@:5]([N:6]([C:13]([C:12]([C:11]([N:10]([H:65])[H:66])([H:63])[H:64])([H:61])[H:62])=[O:14])[H:50])([C:7](=[O:8])[O:9][H:52])[H:53])[H:54])([H:55])[H:56])([H:57])([H:58])[H:59].[O:15]([P:35]([O:34][P:31]([O:30][C:29]([C@@:28]1([H:76])[O:27][C@:26]([N:25]2:[C:21]3:[N:20]:[C:19]([H:67]):[N:18]:[C:17]([N:16]([H:81])[H:82]):[C:22]:3:[N:23]:[C:24]:2[H:68])([H:69])[C@@:45]([O:46][H:79])([H:80])[C@@:43]1([O:44][H:77])[H:78])([H:74])[H:75])(=[O:32])[O:33][H:70])(=[O:36])[O:37][H:71])[H:60].[H][O:38][P:39](=[O:40])([O:41][H:72])[O:42][H:73]