SMIRKS
[H][N:1]([C:2]([C:3](=[O:4])[O:5][H:45])([H:46])[H:47])[H:48].[N:6]([C:7]1:[N:8]:[C:9]([H:50]):[N:10]:[C:11]2:[C:12]:1:[N:13]:[C:14]([H:51]):[N:15]:2[C@:16]1([H:52])[O:17][C@@:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:53])[O:24][P:25](=[O:26])([O:27][H:54])[O:28][P:29](=[O:30])([O:31][H:55])[O:32][H:56])([H:57])[H:58])([H:59])[C@:33]([O:34][H:60])([H:61])[C@:35]1([O:36][H:62])[H:63])([H:64])[H:65]>>[H]O[P:25]([O:24][P:21]([O:20][C:19]([C@@:18]1([H:59])[O:17][C@:16]([N:15]2:[C:11]3:[N:10]:[C:9]([H:50]):[N:8]:[C:7]([N:6]([H:64])[H:65]):[C:12]:3:[N:13]:[C:14]:2[H:51])([H:52])[C@@:35]([O:36][H:62])([H:63])[C@@:33]1([O:34][H:60])[H:61])([H:57])[H:58])(=[O:22])[O:23][H:53])(=[O:26])[O:27][H:54].[H]N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)[N:1]([C:2]([C:3](=[O:4])[O:5][H:45])([H:46])[H:47])[H:48].[H][O:28][P:29](=[O:30])([O:31][H:55])[O:32][H:56]
Derived Operators
EVODEX.1-F153 - Elemental Balance
| O | 2 |
| C | 5 |
| N | 1 |
| H | 9 |
EVODEX.1-M253 - Mass Difference
115.06337
EVODEX.1-E816 - Reaction Operator E
[#7:5](-[#6@:4])(-[H:51])-[H].[#8:27]-[#15:28](=[#8:29])(-[#8:30])-[#8:31]-[#15:32]>>[#7:5](-[#6@:4])(-[#6](=[#8])-[#6@]1(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7]-1-[H])-[H:51].[#8:27]-[#15:28](=[#8:29])(-[#8:30])-[#8]-[H].[#8:31](-[#15:32])-[H]
EVODEX.1-C950 - Reaction Operator C
[H]-[#7:5].([#15:28]-[#8:31].[#6@:36]-[#6@:38])>>[H]-[#7]1-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#6](=[#8])-[#7:5].([H]-[#8]-[#15:28].[#6@@:38]-[#6@@:36]).[H]-[#8:31]
EVODEX.1-N1187 - Reaction Operator N
[H]-[#7:5](-[#6@@:4])-[H:51].([#8:27]-[#15:28](=[#8:29])(-[#8:30])-[#8:31]-[#15:32].[#8:37]-[#6@@:36](-[#6@@:21])(-[H:70])-[#6@:38](-[#6@:19])(-[#8:39])-[H:72])>>[H]-[#7]1-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#6](=[#8])-[#7:5](-[#6@@:4])-[H:51].([H]-[#8]-[#15:28](-[#8:27])(=[#8:29])-[#8:30].[#8:39]-[#6@:38](-[#6@:19])(-[H:72])-[#6@@:36](-[#6@@:21])(-[#8:37])-[H:70]).[H]-[#8:31]-[#15:32]
EVODEX.1-Em22 - Reaction Operator Em
[H]-[#7:47]-[#6:46].[#8:73]-[#15:74](=[#8:75])(-[#8:76])-[#8:77]-[#15:78]>>[#6]-[#6](=[#8])-[#7:47]-[#6:46].[H]-[#8]-[#15:74](-[#8:73])(=[#8:75])-[#8:76].[H]-[#8:77]-[#15:78]
EVODEX.1-Cm36 - Reaction Operator Cm
[H]-[#7:47].[#15:74]-[#8:77]>>[#6]-[#7:47].[#8]-[#15:74].[H]-[#8:77]
EVODEX.1-Nm22 - Reaction Operator Nm
[H]-[#7:47]-[#6:46].[#8:73]-[#15:74](=[#8:75])(-[#8:76])-[#8:77]-[#15:78]>>[#6]-[#6](=[#8])-[#7:47]-[#6:46].[H]-[#8]-[#15:74](-[#8:73])(=[#8:75])-[#8:76].[H]-[#8:77]-[#15:78]
Source Full Reactions
EVODEX.1-R7793
[H][N:1]([C:2]([C:3](=[O:4])[O:5][H:45])([H:46])[H:47])[H:48].[N:6]([C:7]1:[N:8]:[C:9]([H:50]):[N:10]:[C:11]2:[C:12]:1:[N:13]:[C:14]([H:51]):[N:15]:2[C@:16]1([H:52])[O:17][C@@:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:53])[O:24][P:25](=[O:26])([O:27][H:54])[O:28][P:29](=[O:30])([O:31][H:55])[O:32][H:56])([H:57])[H:58])([H:59])[C@:33]([O:34][H:60])([H:61])[C@:35]1([O:36][H:62])[H:63])([H:64])[H:65].[O:37]=[C:38]([O:39][H:66])[C@:40]1([H:67])[C:41]([H:68])([H:69])[C:42]([H:70])([H:71])[C:43]([H:72])([H:73])[N:44]1[H:74]>>[N:6]([C:7]1:[N:8]:[C:9]([H:50]):[N:10]:[C:11]2:[C:12]:1:[N:13]:[C:14]([H:51]):[N:15]:2[C@:16]1([H:52])[O:17][C@@:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:53])[O:24][P:25](=[O:26])([O:27][H:54])[O:39][H:66])([H:57])[H:58])([H:59])[C@:33]([O:34][H:60])([H:61])[C@:35]1([O:36][H:62])[H:63])([H:64])[H:65].[N:1]([C:2]([C:3](=[O:4])[O:5][H:45])([H:46])[H:47])([C:38](=[O:37])[C@:40]1([H:67])[C:41]([H:68])([H:69])[C:42]([H:70])([H:71])[C:43]([H:72])([H:73])[N:44]1[H:74])[H:48].[H][O:28][P:29](=[O:30])([O:31][H:55])[O:32][H:56]