SMIRKS
[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):C([H]):C(=O):N([H]):C:2=O)O[C@]1([H])C([H])([H])OP(=O)(O[H])O[P:29](=[O:30])([O:31][H:44])[O:32][H:45].[H][O:10][C:9]([C@@:8]1([H:60])[O:7][C@@:6]([O:5][P:2](=[O:1])([O:3][H:54])[O:4][H:55])([H:56])[C@@:13]([O:14][H:63])([H:64])[C@@:11]1([O:12][H:61])[H:62])([H:58])[H:59]>>[O:1]=[P:2]([O:3][H:54])([O:4][H:55])[O:5][C@@:6]1([H:56])[O:7][C@@:8]([C:9]([O:10][P:29](=[O:30])([O:31][H:44])[O:32][H:45])([H:58])[H:59])([H:60])[C@:11]([O:12][H:61])([H:62])[C@:13]1([O:14][H:63])[H:64]
Derived Operators
EVODEX.1-F293 - Elemental Balance
| P | -1 |
| O | -9 |
| C | -9 |
| N | -2 |
| H | -13 |
EVODEX.1-M144 - Mass Difference
-324.03589
EVODEX.1-E1059 - Reaction Operator E
[#6:34]-[#8:35]-[H].[#8]=[#6]1:[#6](-[H]):[#6](-[H]):[#7](-[#6@]2(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:54](=[#8:55])(-[#8:56])-[#8:57])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-2(-[#8]-[H])-[H]):[#6](=[#8]):[#7]:1-[H]>>[#6:34]-[#8:35]-[#15:54](=[#8:55])(-[#8:56])-[#8:57]
EVODEX.1-C983 - Reaction Operator C
([H]-[#8:20].[#6@@:24]-[#6@@:22]).[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:43]>>([#8:20]-[#15:43].[#6@:22]-[#6@:24])
EVODEX.1-N1329 - Reaction Operator N
[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:29](=[#8:30])(-[#8:31])-[#8:32].[H]-[#8:10]-[#6:9]-[#6@@:8]-[#6@:11](-[#6@:13](-[#6@@:6])(-[#8:14])-[H:64])(-[#8:12])-[H:62]>>[#6:9](-[#6@@:8]-[#6@:11](-[#8:12])(-[H:62])-[#6@:13](-[#6@@:6])(-[#8:14])-[H:64])-[#8:10]-[#15:29](=[#8:30])(-[#8:31])-[#8:32]
EVODEX.1-Em5 - Reaction Operator Em
[#15]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[H]-[#8:34]-[#6:33]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:34]-[#6:33]
EVODEX.1-Nm6 - Reaction Operator Nm
[#15]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[H]-[#8:34]-[#6:33]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:34]-[#6:33]
Source Full Reactions
EVODEX.1-R3989
[O:15]=[C:16]1:[C:17]([H:40]):[C:18]([H:41]):[N:19]([C@:20]2([H:42])[O:21][C@@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:43])[O:28][P:29](=[O:30])([O:31][H:44])[O:32][H:45])([H:46])[H:47])([H:48])[C@:33]([O:34][H:49])([H:50])[C@:35]2([O:36][H:51])[H:52]):[C:37](=[O:38]):[N:39]:1[H:53].[H][O:10][C:9]([C@@:8]1([H:60])[O:7][C@@:6]([O:5][P:2](=[O:1])([O:3][H:54])[O:4][H:55])([H:56])[C@@:13]([O:14][H:63])([H:64])[C@@:11]1([O:12][H:61])[H:62])([H:58])[H:59]>>[H][O:28][P:25]([O:24][C:23]([C@@:22]1([H:48])[O:21][C@:20]([N:19]2:[C:18]([H:41]):[C:17]([H:40]):[C:16](=[O:15]):[N:39]([H:53]):[C:37]:2=[O:38])([H:42])[C@@:35]([O:36][H:51])([H:52])[C@@:33]1([O:34][H:49])[H:50])([H:46])[H:47])(=[O:26])[O:27][H:43].[O:1]=[P:2]([O:3][H:54])([O:4][H:55])[O:5][C@@:6]1([H:56])[O:7][C@@:8]([C:9]([O:10][P:29](=[O:30])([O:31][H:44])[O:32][H:45])([H:58])[H:59])([H:60])[C@:11]([O:12][H:61])([H:62])[C@:13]1([O:14][H:63])[H:64]