SMIRKS
[H][O:14][C:13]([C@@:12]1([H:36])[O:11][C@:10]([N:9]2:[C:8]([H:31]):[N:7]:[C:6]3:[C:4](=[O:5]):[N:3]([H:30]):[C:2](=[N:1][H:42]):[N:20]([H:41]):[C:19]:3:2)([H:32])[C@@:17]([O:18][H:39])([H:40])[C@@:15]1([O:16][H:37])[H:38])([H:34])[H:35].[H]OP(=O)(O[H])O[P:22](=[O:21])([O:23][H:43])[O:24][H:44]>>[N:1](=[C:2]1:[N:3]([H:30]):[C:4](=[O:5]):[C:6]2:[N:7]:[C:8]([H:31]):[N:9]([C@:10]3([H:32])[O:11][C@@:12]([C:13]([O:14][P:22](=[O:21])([O:23][H:43])[O:24][H:44])([H:34])[H:35])([H:36])[C@:15]([O:16][H:37])([H:38])[C@:17]3([O:18][H:39])[H:40]):[C:19]:2:[N:20]:1[H:41])[H:42]
Derived Operators
EVODEX.1-F175 - Elemental Balance
| P | -1 |
| O | -4 |
| H | -3 |
EVODEX.1-M10 - Mass Difference
-97.97689
EVODEX.1-E857 - Reaction Operator E
[#8]=[#15](-[#8]-[H])(-[#8]-[H])-[#8]-[#15:6](=[#8:7])(-[#8:8])-[#8:9].[#8:19](-[#6:20])-[H]>>[#15:6](=[#8:7])(-[#8:8])(-[#8:9])-[#8:19]-[#6:20]
EVODEX.1-C1074 - Reaction Operator C
([H]-[#8:14].[#6@@:17]-[#6@@:15]).[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:22]>>([#8:14]-[#15:22].[#6@:15]-[#6@:17])
EVODEX.1-N1324 - Reaction Operator N
[H]-[#8:14]-[#6:13]-[#6@@:12]-[#6@:15](-[#6@:17](-[#6@:10])(-[#8:18])-[H:40])(-[#8:16])-[H:38].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:22](=[#8:21])(-[#8:23])-[#8:24]>>[#6:13](-[#6@@:12]-[#6@:15](-[#8:16])(-[H:38])-[#6@:17](-[#6@:10])(-[#8:18])-[H:40])-[#8:14]-[#15:22](=[#8:21])(-[#8:23])-[#8:24]
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-R3914
[H][O:14][C:13]([C@@:12]1([H:36])[O:11][C@:10]([N:9]2:[C:8]([H:31]):[N:7]:[C:6]3:[C:4](=[O:5]):[N:3]([H:30]):[C:2](=[N:1][H:42]):[N:20]([H:41]):[C:19]:3:2)([H:32])[C@@:17]([O:18][H:39])([H:40])[C@@:15]1([O:16][H:37])[H:38])([H:34])[H:35].[O:21]=[P:22]([O:23][H:43])([O:24][H:44])[O:25][P:26](=[O:27])([O:28][H:45])[O:29][H:46]>>[N:1](=[C:2]1:[N:3]([H:30]):[C:4](=[O:5]):[C:6]2:[N:7]:[C:8]([H:31]):[N:9]([C@:10]3([H:32])[O:11][C@@:12]([C:13]([O:14][P:22](=[O:21])([O:23][H:43])[O:24][H:44])([H:34])[H:35])([H:36])[C@:15]([O:16][H:37])([H:38])[C@:17]3([O:18][H:39])[H:40]):[C:19]:2:[N:20]:1[H:41])[H:42].[H][O:25][P:26](=[O:27])([O:28][H:45])[O:29][H:46]