SMIRKS
[H][O:4][C:2]([C:1]([H:37])([H:38])[H:39])=[O:3].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(=O):N([H]):C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[P:28](=[O:29])([O:30][H:46])[O:31][H:47]>>[C:1]([C:2](=[O:3])[O:4][P:28](=[O:29])([O:30][H:46])[O:31][H:47])([H:37])([H:38])[H:39]
Derived Operators
EVODEX.1-F284 - Elemental Balance
| P | -2 |
| O | -11 |
| C | -10 |
| N | -4 |
| H | -14 |
EVODEX.1-M313 - Mass Difference
-428.01352
EVODEX.1-E1041 - Reaction Operator E
[#8:3](-[#6@@:2])-[H].[#8]=[#6]1:[#7](-[H]):[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:38](=[#8:39])(-[#8:40])-[#8:41])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H]>>[#8:3](-[#6@@:2])-[#15:38](=[#8:39])(-[#8:40])-[#8:41]
EVODEX.1-C979 - Reaction Operator C
[H]-[#8:6].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](=[#8]):[#7](-[H]):[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:30]>>[#8:6]-[#15:30]
EVODEX.1-N1216 - Reaction Operator N
[H]-[#8:6]-[#6:4].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](=[#8]):[#7](-[H]):[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:30](=[#8:31])(-[#8:32])-[#8:33]>>[#6:4]-[#8:6]-[#15:30](=[#8:31])(-[#8:32])-[#8:33]
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-R4169
[H][O:4][C:2]([C:1]([H:37])([H:38])[H:39])=[O:3].[O:5]=[C:6]1:[N:7]([H:40]):[C:8]([H:41]):[N:9]:[C:10]2:[C:11]:1:[N:12]:[C:13]([H:42]):[N:14]:2[C@:15]1([H:43])[O:16][C@@:17]([C:18]([O:19][P:20](=[O:21])([O:22][H:44])[O:23][P:24](=[O:25])([O:26][H:45])[O:27][P:28](=[O:29])([O:30][H:46])[O:31][H:47])([H:48])[H:49])([H:50])[C@:32]([O:33][H:51])([H:52])[C@:34]1([O:35][H:53])[H:54]>>[C:1]([C:2](=[O:3])[O:4][P:28](=[O:29])([O:30][H:46])[O:31][H:47])([H:37])([H:38])[H:39].[H][O:27][P:24]([O:23][P:20]([O:19][C:18]([C@@:17]1([H:50])[O:16][C@:15]([N:14]2:[C:10]3:[N:9]:[C:8]([H:41]):[N:7]([H:40]):[C:6](=[O:5]):[C:11]:3:[N:12]:[C:13]:2[H:42])([H:43])[C@@:34]([O:35][H:53])([H:54])[C@@:32]1([O:33][H:51])[H:52])([H:48])[H:49])(=[O:21])[O:22][H:44])(=[O:25])[O:26][H:45]