SMIRKS
[H]OP(=O)(O[H])O[C:11]([C@:10]1([H:34])[C@:8]([O:9][H:28])([H:29])[C:7]([H:26])([H:27])[C@@:6]([N:5]2:[C:4]([H:24]):[C:3]([N:2]([C:1]([H:37])([H:38])[H:39])[H:36]):[C:21](=[O:22]):[N:20]([H:35]):[C:18]:2=[O:19])([H:25])[O:17]1)([H:32])[H:33].[H][O:23][H:40]>>[C:1]([N:2]([C:3]1:[C:4]([H:24]):[N:5]([C@@:6]2([H:25])[C:7]([H:26])([H:27])[C@@:8]([O:9][H:28])([H:29])[C@:10]([C:11]([O:23][H:40])([H:32])[H:33])([H:34])[O:17]2):[C:18](=[O:19]):[N:20]([H:35]):[C:21]:1=[O:22])[H:36])([H:37])([H:38])[H:39]
Derived Operators
EVODEX.1-F175 - Elemental Balance
| P | -1 |
| O | -4 |
| H | -3 |
EVODEX.1-M10 - Mass Difference
-97.97689
EVODEX.1-E851 - Reaction Operator E
[#6:4]-[#6:5](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H:19])-[H:20].[#8:15](-[H:29])-[H]>>[#6:4]-[#6:5](-[#8:15]-[H:29])(-[H:19])-[H:20]
EVODEX.1-C1114 - Reaction Operator C
([H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:11].[#6@:8]).[H]-[#8:23]>>([#6:11]-[#8:23].[#6@@:8])
EVODEX.1-N1742 - Reaction Operator N
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:11](-[#6@:10]-[#6@:8](-[#8:9])(-[H:29])-[#6:7])(-[H:32])-[H:33].[H]-[#8:23]-[H:40]>>[#6:7]-[#6@@:8](-[#8:9])(-[H:29])-[#6@:10]-[#6:11](-[#8:23]-[H:40])(-[H:32])-[H:33]
EVODEX.1-Em104 - Reaction Operator Em
[#15]-[#8]-[#6:12]-[#6:11].[H]-[#8:37]>>[#6:11]-[#6:12]-[#8:37]
EVODEX.1-Nm137 - Reaction Operator Nm
[#15]-[#8]-[#6:12]-[#6:11].[H]-[#8:37]>>[#6:11]-[#6:12]-[#8:37]
Source Full Reactions
EVODEX.1-R5053
[C:1]([N:2]([C:3]1:[C:4]([H:24]):[N:5]([C@@:6]2([H:25])[C:7]([H:26])([H:27])[C@@:8]([O:9][H:28])([H:29])[C@:10]([C:11]([O:12][P:13](=[O:14])([O:15][H:30])[O:16][H:31])([H:32])[H:33])([H:34])[O:17]2):[C:18](=[O:19]):[N:20]([H:35]):[C:21]:1=[O:22])[H:36])([H:37])([H:38])[H:39].[H][O:23][H:40]>>[C:1]([N:2]([C:3]1:[C:4]([H:24]):[N:5]([C@@:6]2([H:25])[C:7]([H:26])([H:27])[C@@:8]([O:9][H:28])([H:29])[C@:10]([C:11]([O:23][H:40])([H:32])[H:33])([H:34])[O:17]2):[C:18](=[O:19]):[N:20]([H:35]):[C:21]:1=[O:22])[H:36])([H:37])([H:38])[H:39].[H][O:12][P:13](=[O:14])([O:15][H:30])[O:16][H:31]