SMIRKS
[N:1]([C:2]1:[C:3]([H:52]):[C:4]([H:53]):[N:5]([C@:6]2([H:54])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:55])[O:14][C@:15]3([C:16](=[O:17])[O:18][H:56])[C:19]([H:57])([H:58])[C@@:20]([O:21][H:59])([H:60])[C@:22]([N:23]([C:24](=[O:25])[C:26]([O:27][H:61])([H:62])[H:63])[H:64])([H:65])[C@@:28]([C@:29]([O:30][H:66])([C@:31]([O:32][H:67])([C:33]([O:34][H:68])([H:69])[H:70])[H:71])[H:72])([H:73])[O:35]3)([H:74])[H:75])([H:76])[C@:36]([O:37][H:77])([H:78])[C@:38]2([O:39][H:79])[H:80]):[C:40](=[O:41]):[N:42]:1)([H:81])[H:82]>>[H]OP(=O)(O[H])OP(=O)(O[H])O[P:11]([O:10][C:9]([C@@:8]1([H:76])[O:7][C@:6]([N:5]2:[C:4]([H:53]):[C:3]([H:52]):[C:2]([N:1]([H:81])[H:82]):[N:42]:[C:40]:2=[O:41])([H:54])[C@@:38]([O:39][H:79])([H:80])[C@@:36]1([O:37][H:77])[H:78])([H:74])[H:75])(=[O:12])[O:13][H:55].[H][O:14][C@:15]1([C:16](=[O:17])[O:18][H:56])[C:19]([H:57])([H:58])[C@@:20]([O:21][H:59])([H:60])[C@:22]([N:23]([C:24](=[O:25])[C:26]([O:27][H:61])([H:62])[H:63])[H:64])([H:65])[C@@:28]([C@:29]([O:30][H:66])([C@:31]([O:32][H:67])([C:33]([O:34][H:68])([H:69])[H:70])[H:71])[H:72])([H:73])[O:35]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-R4445
[N:1]([C:2]1:[C:3]([H:52]):[C:4]([H:53]):[N:5]([C@:6]2([H:54])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:55])[O:14][C@:15]3([C:16](=[O:17])[O:18][H:56])[C:19]([H:57])([H:58])[C@@:20]([O:21][H:59])([H:60])[C@:22]([N:23]([C:24](=[O:25])[C:26]([O:27][H:61])([H:62])[H:63])[H:64])([H:65])[C@@:28]([C@:29]([O:30][H:66])([C@:31]([O:32][H:67])([C:33]([O:34][H:68])([H:69])[H:70])[H:71])[H:72])([H:73])[O:35]3)([H:74])[H:75])([H:76])[C@:36]([O:37][H:77])([H:78])[C@:38]2([O:39][H:79])[H:80]):[C:40](=[O:41]):[N:42]:1)([H:81])[H:82].[H][O:45][P:44](=[O:43])([O:46][H:84])[O:47][P:48](=[O:49])([O:50][H:85])[O:51][H:86]>>[N:1]([C:2]1:[C:3]([H:52]):[C:4]([H:53]):[N:5]([C@:6]2([H:54])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:55])[O:45][P:44](=[O:43])([O:46][H:84])[O:47][P:48](=[O:49])([O:50][H:85])[O:51][H:86])([H:74])[H:75])([H:76])[C@:36]([O:37][H:77])([H:78])[C@:38]2([O:39][H:79])[H:80]):[C:40](=[O:41]):[N:42]:1)([H:81])[H:82].[H][O:14][C@:15]1([C:16](=[O:17])[O:18][H:56])[C:19]([H:57])([H:58])[C@@:20]([O:21][H:59])([H:60])[C@:22]([N:23]([C:24](=[O:25])[C:26]([O:27][H:61])([H:62])[H:63])[H:64])([H:65])[C@@:28]([C@:29]([O:30][H:66])([C@:31]([O:32][H:67])([C:33]([O:34][H:68])([H:69])[H:70])[H:71])[H:72])([H:73])[O:35]1