SMIRKS
[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(=O):N([H]):C(N([H])[H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[C@@:22]1([H:49])[O:23][C@@:24]([C:25]([O:26][H:50])([H:51])[H:52])([H:53])[C@:27]([O:28][H:54])([H:55])[C@@:29]([O:30][H:56])([H:57])[C@@:31]1([O:32][H:58])[H:59].[H][O:42][P:41](=[O:40])([O:43][H:71])[O:44][H:72]>>[C:22]1([O:42][P:41](=[O:40])([O:43][H:71])[O:44][H:72])([H:49])[O:23][C@@:24]([C:25]([O:26][H:50])([H:51])[H:52])([H:53])[C@:27]([O:28][H:54])([H:55])[C@@:29]([O:30][H:56])([H:57])[C@@:31]1([O:32][H:58])[H:59]
Derived Operators
EVODEX.1-F390 - Elemental Balance
| P | -2 |
| O | -11 |
| C | -10 |
| N | -5 |
| H | -15 |
EVODEX.1-M39 - Mass Difference
-443.02444999999994
EVODEX.1-E1191 - Reaction Operator E
[#7](-[#6]1:[#7]:[#6]2:[#6](:[#7]:[#6](-[H]):[#7]:2-[#6@]2(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:22](-[H:49])(-[#8:23])-[#6@@:31])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-2(-[#8]-[H])-[H]):[#6](=[#8]):[#7]:1-[H])(-[H])-[H].[#15:41]-[#8:42]-[H]>>[#6:22](-[#8:42]-[#15:41])(-[H:49])(-[#8:23])-[#6@@:31]
EVODEX.1-C186 - Reaction Operator C
[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](=[#8]):[#7](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:22].[H]-[#8:42]>>[#6:22]-[#8:42]
EVODEX.1-N461 - Reaction Operator N
[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](=[#8]):[#7](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:22](-[H:49])(-[#8:23])-[#6@@:31].[H]-[#8:42]-[#15:41]>>[#6:22](-[#8:42]-[#15:41])(-[H:49])(-[#8:23])-[#6@@:31]
EVODEX.1-Em99 - Reaction Operator Em
[#15]-[#8]-[#6:6](-[#6:5])-[#8:32].[H]-[#8:42]-[#15:41]>>[#6:5]-[#6:6](-[#8:42]-[#15:41])-[#8:32]
EVODEX.1-Nm132 - Reaction Operator Nm
[#15]-[#8]-[#6:6](-[#6:5])-[#8:32].[H]-[#8:42]-[#15:41]>>[#6:5]-[#6:6](-[#8:42]-[#15:41])-[#8:32]
Source Full Reactions
EVODEX.1-R4400
[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:45]):[N:8]:2[C@:9]2([H:46])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:47])[O:17][P:18](=[O:19])([O:20][H:48])[O:21][C@@:22]3([H:49])[O:23][C@@:24]([C:25]([O:26][H:50])([H:51])[H:52])([H:53])[C@:27]([O:28][H:54])([H:55])[C@@:29]([O:30][H:56])([H:57])[C@@:31]3([O:32][H:58])[H:59])([H:60])[H:61])([H:62])[C@:33]([O:34][H:63])([H:64])[C@:35]2([O:36][H:65])[H:66]):[C:37](=[O:38]):[N:39]:1[H:67])([H:68])[H:69].[H][O:42][P:41](=[O:40])([O:43][H:71])[O:44][H:72]>>[C:22]1([O:42][P:41](=[O:40])([O:43][H:71])[O:44][H:72])([H:49])[O:23][C@@:24]([C:25]([O:26][H:50])([H:51])[H:52])([H:53])[C@:27]([O:28][H:54])([H:55])[C@@:29]([O:30][H:56])([H:57])[C@@:31]1([O:32][H:58])[H:59].[H][O:21][P:18]([O:17][P:14]([O:13][C:12]([C@@:11]1([H:62])[O:10][C@:9]([N:8]2:[C:4]3:[N:3]:[C:2]([N:1]([H:68])[H:69]):[N:39]([H:67]):[C:37](=[O:38]):[C:5]:3:[N:6]:[C:7]:2[H:45])([H:46])[C@@:35]([O:36][H:65])([H:66])[C@@:33]1([O:34][H:63])[H:64])([H:60])[H:61])(=[O:15])[O:16][H:47])(=[O:19])[O:20][H:48]