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[P:22](=[O:23])([O:24][H:43])[O:25][H:44].[H][O:38][C:37]([C@:35]([C:34](=[O:33])[H:60])([O:36][H:55])[H:59])([H:57])[H:58]>>[P:22](=[O:23])([O:24][H:43])([O:25][H:44])[O:38][C:37]([C@:35]([C:34](=[O:33])[H:60])([O:36][H:55])[H:59])([H:57])[H:58]
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-E1194 - 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]-[#15:22](=[#8:23])(-[#8:24])-[#8:25])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-2(-[#8]-[H])-[H]):[#6](=[#8]):[#7]:1-[H])(-[H])-[H].[#6:34]-[#8:35]-[H]>>[#15:22](=[#8:23])(-[#8:24])(-[#8:25])-[#8:35]-[#6:34]
EVODEX.1-C982 - 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]-[#15:22].[H]-[#8:38]>>[#15:22]-[#8:38]
EVODEX.1-N1219 - 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]-[#15:22](=[#8:23])(-[#8:24])-[#8:25].[H]-[#8:38]-[#6:37]>>[#15:22](=[#8:23])(-[#8:24])(-[#8:25])-[#8:38]-[#6:37]
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-R4010
[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:39]):[N:8]:2[C@:9]2([H:40])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:41])[O:17][P:18](=[O:19])([O:20][H:42])[O:21][P:22](=[O:23])([O:24][H:43])[O:25][H:44])([H:45])[H:46])([H:47])[C@:26]([O:27][H:48])([H:49])[C@:28]2([O:29][H:50])[H:51]):[C:30](=[O:31]):[N:32]:1[H:52])([H:53])[H:54].[H][O:38][C:37]([C@:35]([C:34](=[O:33])[H:60])([O:36][H:55])[H:59])([H:57])[H:58]>>[H][O:21][P:18]([O:17][P:14]([O:13][C:12]([C@@:11]1([H:47])[O:10][C@:9]([N:8]2:[C:4]3:[N:3]:[C:2]([N:1]([H:53])[H:54]):[N:32]([H:52]):[C:30](=[O:31]):[C:5]:3:[N:6]:[C:7]:2[H:39])([H:40])[C@@:28]([O:29][H:50])([H:51])[C@@:26]1([O:27][H:48])[H:49])([H:45])[H:46])(=[O:15])[O:16][H:41])(=[O:19])[O:20][H:42].[P:22](=[O:23])([O:24][H:43])([O:25][H:44])[O:38][C:37]([C@:35]([C:34](=[O:33])[H:60])([O:36][H:55])[H:59])([H:57])[H:58]