SMIRKS
[H][O:5][C:3]([C:2]([C:1]([H:38])([H:39])[H:40])([H:36])[H:37])=[O:4].[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])OP(=O)(O[H])O[P:24](=[O:25])([O:26][H:46])[O:27][H:47]>>[C:1]([C:2]([C:3](=[O:4])[O:5][P:24](=[O:25])([O:26][H:46])[O:27][H:47])([H:36])[H:37])([H:38])([H:39])[H:40]
Derived Operators
EVODEX.1-F328 - Elemental Balance
| P | -2 |
| O | -12 |
| C | -9 |
| N | -2 |
| H | -14 |
EVODEX.1-M18 - Mass Difference
-404.00222
EVODEX.1-E1114 - Reaction Operator E
[#8:3](-[#6@@:2])-[H].[#8]=[#6]1:[#6](-[H]):[#6](-[H]):[#7](-[#6@]2(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:33](=[#8:34])(-[#8:35])-[#8:36])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-2(-[#8]-[H])-[H]):[#6](=[#8]):[#7]:1-[H]>>[#8:3](-[#6@@:2])-[#15:33](=[#8:34])(-[#8:35])-[#8:36]
EVODEX.1-C987 - Reaction Operator C
[H]-[#8:5].[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](=[#8])(-[#8]-[H])-[#8]-[#15:24]>>[#8:5]-[#15:24]
EVODEX.1-N1222 - Reaction Operator N
[H]-[#8:5]-[#6:3].[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](=[#8])(-[#8]-[H])-[#8]-[#15:24](=[#8:25])(-[#8:26])-[#8:27]>>[#6:3]-[#8:5]-[#15:24](=[#8:25])(-[#8:26])-[#8:27]
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-R4181
[H][O:5][C:3]([C:2]([C:1]([H:38])([H:39])[H:40])([H:36])[H:37])=[O:4].[O:6]=[C:7]1:[C:8]([H:41]):[C:9]([H:42]):[N:10]([C@:11]2([H:43])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:44])[O:19][P:20](=[O:21])([O:22][H:45])[O:23][P:24](=[O:25])([O:26][H:46])[O:27][H:47])([H:48])[H:49])([H:50])[C@:28]([O:29][H:51])([H:52])[C@:30]2([O:31][H:53])[H:54]):[C:32](=[O:33]):[N:34]:1[H:55]>>[C:1]([C:2]([C:3](=[O:4])[O:5][P:24](=[O:25])([O:26][H:46])[O:27][H:47])([H:36])[H:37])([H:38])([H:39])[H:40].[H][O:23][P:20]([O:19][P:16]([O:15][C:14]([C@@:13]1([H:50])[O:12][C@:11]([N:10]2:[C:9]([H:42]):[C:8]([H:41]):[C:7](=[O:6]):[N:34]([H:55]):[C:32]:2=[O:33])([H:43])[C@@:30]([O:31][H:53])([H:54])[C@@:28]1([O:29][H:51])[H:52])([H:48])[H:49])(=[O:17])[O:18][H:44])(=[O:21])[O:22][H:45]