SMIRKS
[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])[O:28][P:29](=[O:30])([O:31][H:55])[O:32][H:56].[H]O[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]OC(=O)C([H])([H])N([H])[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][O:28][P:29](=[O:30])([O:31][H:55])[O:32][H:56]
Derived Operators
EVODEX.1-F456 - Elemental Balance
| P | -2 |
| O | -8 |
| C | -8 |
| N | -4 |
| H | -10 |
EVODEX.1-M439 - Mass Difference
-351.9975
EVODEX.1-E1265 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#8]-[H].[#7](-[#6]1:[#7]:[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:72]-[#15:73])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])-[H].[#8:72](-[#15:73])-[H]
EVODEX.1-C817 - Reaction Operator C
[H]-[#8]-[#6:42].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:72]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:42].[H]-[#8:72]
EVODEX.1-N1028 - Reaction Operator N
[H]-[#8]-[#6:42](-[#6@:40])=[#8:43].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:72]-[#15:73]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:42](-[#6@:40])=[#8:43].[H]-[#8:72]-[#15:73]
EVODEX.1-Em23 - Reaction Operator Em
[H]-[#8]-[#6:42](-[#6:40])=[#8:43].[#8]-[#15](=[#8])(-[#8])-[#8:75]-[#15:76]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[H]-[#8:75]-[#15:76]
EVODEX.1-Nm23 - Reaction Operator Nm
[H]-[#8]-[#6:42](-[#6:40])=[#8:43].[#8]-[#15](=[#8])(-[#8])-[#8:75]-[#15:76]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[H]-[#8:75]-[#15:76]
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]