SMIRKS
[N:1]([C:2]1:[C:3]([H:46]):[C:4]([H:47]):[N:5]([C@:6]2([H:48])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:49])[O:14][C@@:15]3([C:16](=[O:17])[O:18][H:50])[C:19]([H:51])([H:52])[C@:20]([O:21][H:53])([H:54])[C@:22]([F:23])([H:55])[C@:24]([C@:25]([O:26][H:56])([C:27]([O:28][H:57])([H:58])[H:59])[H:60])([H:61])[O:29]3)([H:62])[H:63])([H:64])[C@:30]([O:31][H:65])([H:66])[C@:32]2([O:33][H:67])[H:68]):[C:34](=[O:35]):[N:36]:1)([H:69])[H:70]>>[H]OP(=O)(O[H])OP(=O)(O[H])O[P:11]([O:10][C:9]([C@@:8]1([H:64])[O:7][C@:6]([N:5]2:[C:4]([H:47]):[C:3]([H:46]):[C:2]([N:1]([H:69])[H:70]):[N:36]:[C:34]:2=[O:35])([H:48])[C@@:32]([O:33][H:67])([H:68])[C@@:30]1([O:31][H:65])[H:66])([H:62])[H:63])(=[O:12])[O:13][H:49].[H][O:14][C@@:15]1([C:16](=[O:17])[O:18][H:50])[C:19]([H:51])([H:52])[C@:20]([O:21][H:53])([H:54])[C@:22]([F:23])([H:55])[C@:24]([C@:25]([O:26][H:56])([C:27]([O:28][H:57])([H:58])[H:59])[H:60])([H:61])[O:29]1
Derived Operators
EVODEX.1-F131 - Elemental Balance
| P | 2 |
| O | 7 |
| H | 4 |
EVODEX.1-M65 - Mass Difference
177.94322
EVODEX.1-E772 - Reaction Operator E
[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:19]-[#6:20]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H].[#8:19](-[#6:20])-[H]
EVODEX.1-C888 - Reaction Operator C
([#15:11]-[#8:14].[#6@:36]-[#6@:38])>>([H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:11].[#6@@:38]-[#6@@:36]).[H]-[#8:14]
EVODEX.1-N1359 - Reaction Operator N
([#8:10]-[#15:11](=[#8:12])(-[#8:13])-[#8:14]-[#6@:15].[#8:37]-[#6@@:36](-[#6@@:8])(-[H:78])-[#6@:38](-[#6@:6])(-[#8:39])-[H:80])>>([H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:11](-[#8:10])(=[#8:12])-[#8:13].[#8:39]-[#6@:38](-[#6@:6])(-[H:80])-[#6@@:36](-[#6@@:8])(-[#8:37])-[H:78]).[H]-[#8:14]-[#6@:15]
EVODEX.1-Em63 - Reaction Operator Em
[#6:32]-[#8:33]-[#15:34](=[#8:35])(-[#8:36])-[#8:37]>>[H]-[#8:33]-[#6:32].[#15]-[#8]-[#15:34](=[#8:35])(-[#8:36])-[#8:37]
EVODEX.1-Nm76 - Reaction Operator Nm
[#6:32]-[#8:33]-[#15:34](=[#8:35])(-[#8:36])-[#8:37]>>[H]-[#8:33]-[#6:32].[#15]-[#8]-[#15:34](=[#8:35])(-[#8:36])-[#8:37]
Source Full Reactions
EVODEX.1-R4431
[N:1]([C:2]1:[C:3]([H:46]):[C:4]([H:47]):[N:5]([C@:6]2([H:48])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:49])[O:14][C@@:15]3([C:16](=[O:17])[O:18][H:50])[C:19]([H:51])([H:52])[C@:20]([O:21][H:53])([H:54])[C@:22]([F:23])([H:55])[C@:24]([C@:25]([O:26][H:56])([C:27]([O:28][H:57])([H:58])[H:59])[H:60])([H:61])[O:29]3)([H:62])[H:63])([H:64])[C@:30]([O:31][H:65])([H:66])[C@:32]2([O:33][H:67])[H:68]):[C:34](=[O:35]):[N:36]:1)([H:69])[H:70].[H][O:39][P:38](=[O:37])([O:40][H:72])[O:41][P:42](=[O:43])([O:44][H:73])[O:45][H:74]>>[N:1]([C:2]1:[C:3]([H:46]):[C:4]([H:47]):[N:5]([C@:6]2([H:48])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:49])[O:39][P:38](=[O:37])([O:40][H:72])[O:41][P:42](=[O:43])([O:44][H:73])[O:45][H:74])([H:62])[H:63])([H:64])[C@:30]([O:31][H:65])([H:66])[C@:32]2([O:33][H:67])[H:68]):[C:34](=[O:35]):[N:36]:1)([H:69])[H:70].[H][O:14][C@@:15]1([C:16](=[O:17])[O:18][H:50])[C:19]([H:51])([H:52])[C@:20]([O:21][H:53])([H:54])[C@:22]([F:23])([H:55])[C@:24]([C@:25]([O:26][H:56])([C:27]([O:28][H:57])([H:58])[H:59])[H:60])([H:61])[O:29]1