SMIRKS
[H][O:15][C:13]([C@@:2]([N:1]([H:73])[H:74])([C:3]([C:4]1:[C:5]([H:63]):[N:6]([H:64]):[C:7]2:[C:8]([H:65]):[C:9]([H:66]):[C:10]([H:67]):[C:11]([H:68]):[C:12]:1:2)([H:69])[H:70])[H:72])=[O:14]>>[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])[O:15][C:13]([C@@:2]([N:1]([H:73])[H:74])([C:3]([C:4]1:[C:5]([H:63]):[N:6]([H:64]):[C:7]2:[C:8]([H:65]):[C:9]([H:66]):[C:10]([H:67]):[C:11]([H:68]):[C:12]:1:2)([H:69])[H:70])[H:72])=[O:14]
Derived Operators
EVODEX.1-F116 - Elemental Balance
| P | 1 |
| O | 6 |
| C | 10 |
| N | 5 |
| H | 12 |
EVODEX.1-M34 - Mass Difference
329.05266
EVODEX.1-E732 - Reaction Operator E
[#6:33]-[#8:34]-[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])-[#8:34]-[#6:33])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]
EVODEX.1-C128 - Reaction Operator C
[H]-[#8:27]>>[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])-[#8:27]
EVODEX.1-N584 - Reaction Operator N
[H]-[#8:34]-[#6:33]>>[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])-[#8:34]-[#6:33]
Source Full Reactions
EVODEX.1-R7192
[N:16]([C:17]1:[N:18]:[C:19]([H:47]):[N:20]:[C:21]2:[C:22]:1:[N:23]:[C:24]([H:48]):[N:25]:2[C@:26]1([H:49])[O:27][C@@:28]([C:29]([O:30][P:31](=[O:32])([O:33][H:50])[O:34][P:35](=[O:36])([O:37][H:51])[O:38][P:39](=[O:40])([O:41][H:52])[O:42][H:53])([H:54])[H:55])([H:56])[C@:43]([O:44][H:57])([H:58])[C@:45]1([O:46][H:59])[H:60])([H:61])[H:62].[H][O:15][C:13]([C@@:2]([N:1]([H:73])[H:74])([C:3]([C:4]1:[C:5]([H:63]):[N:6]([H:64]):[C:7]2:[C:8]([H:65]):[C:9]([H:66]):[C:10]([H:67]):[C:11]([H:68]):[C:12]:1:2)([H:69])[H:70])[H:72])=[O:14]>>[N:1]([C@@:2]([C:3]([C:4]1:[C:5]([H:63]):[N:6]([H:64]):[C:7]2:[C:8]([H:65]):[C:9]([H:66]):[C:10]([H:67]):[C:11]([H:68]):[C:12]:1:2)([H:69])[H:70])([C:13](=[O:14])[O:15][P:31]([O:30][C:29]([C@@:28]1([H:56])[O:27][C@:26]([N:25]2:[C:21]3:[N:20]:[C:19]([H:47]):[N:18]:[C:17]([N:16]([H:61])[H:62]):[C:22]:3:[N:23]:[C:24]:2[H:48])([H:49])[C@@:45]([O:46][H:59])([H:60])[C@@:43]1([O:44][H:57])[H:58])([H:54])[H:55])(=[O:32])[O:33][H:50])[H:72])([H:73])[H:74].[H][O:34][P:35](=[O:36])([O:37][H:51])[O:38][P:39](=[O:40])([O:41][H:52])[O:42][H:53]