SMIRKS
[H]OP(=O)(O[H])O[C:11]([N:10]([H:20])[H:21])=[O:12].[H][N:6]([C@@:5]([C:4]([C:2]([N:1]([H:28])[H:29])=[O:3])([H:26])[H:27])([C:7](=[O:8])[O:9][H:24])[H:25])[H:22]>>[N:1]([C:2](=[O:3])[C:4]([C@:5]([N:6]([C:11]([N:10]([H:20])[H:21])=[O:12])[H:22])([C:7](=[O:8])[O:9][H:24])[H:25])([H:26])[H:27])([H:28])[H:29]
Derived Operators
EVODEX.1-F175 - Elemental Balance
| P | -1 |
| O | -4 |
| H | -3 |
EVODEX.1-M10 - Mass Difference
-97.97689
EVODEX.1-E856 - Reaction Operator E
[#7:1]-[#6:2](=[#8:3])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H].[#7:9](-[#6:10])(-[H:26])-[H]>>[#7:1]-[#6:2](=[#8:3])-[#7:9](-[#6:10])-[H:26]
EVODEX.1-C1219 - Reaction Operator C
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:11].[H]-[#7:6]-[#6@@:5]>>[#7:6](-[#6@:5])-[#6:11]
EVODEX.1-N1512 - Reaction Operator N
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:11](-[#7:10])=[#8:12].[H]-[#7:6](-[#6@@:5](-[#6:4])(-[#6:7])-[H:25])-[H:22]>>[#6:4]-[#6@:5](-[#7:6](-[#6:11](-[#7:10])=[#8:12])-[H:22])(-[#6:7])-[H:25]
EVODEX.1-Em412 - Reaction Operator Em
[#15]-[#8]-[#6:2](-[#7:1])=[#8:3].[H]-[#7:9]-[#6:10]>>[#7:1]-[#6:2](=[#8:3])-[#7:9]-[#6:10]
EVODEX.1-Nm372 - Reaction Operator Nm
[#15]-[#8]-[#6:2](-[#7:1])=[#8:3].[H]-[#7:9]-[#6:10]>>[#7:1]-[#6:2](=[#8:3])-[#7:9]-[#6:10]
Source Full Reactions
EVODEX.1-R1865
[N:10]([C:11](=[O:12])[O:13][P:14](=[O:15])([O:16][H:18])[O:17][H:19])([H:20])[H:21].[H][N:6]([C@@:5]([C:4]([C:2]([N:1]([H:28])[H:29])=[O:3])([H:26])[H:27])([C:7](=[O:8])[O:9][H:24])[H:25])[H:22]>>[N:1]([C:2](=[O:3])[C:4]([C@:5]([N:6]([C:11]([N:10]([H:20])[H:21])=[O:12])[H:22])([C:7](=[O:8])[O:9][H:24])[H:25])([H:26])[H:27])([H:28])[H:29].[H][O:13][P:14](=[O:15])([O:16][H:18])[O:17][H:19]