SMIRKS
[N:1]([C:2]1:[C:3]([H:35]):[C:4]([H:36]):[N:5]([C@:6]2([H:37])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:38])[O:14][P:15](=[O:16])([O:17][H:39])[O:18][P:19](=[O:20])([O:21][H:40])[O:22][H:41])([H:42])[H:43])([H:44])[C@:23]([O:24][H:45])([H:46])[C@:25]2([O:26][H:47])[H:48]):[C:27](=[O:28]):[N:29]:1)([H:49])[H:50]>>[H]OP(=O)(O[H])O[P:11]([O:10][C:9]([C@@:8]1([H:44])[O:7][C@:6]([N:5]2:[C:4]([H:36]):[C:3]([H:35]):[C:2]([N:1]([H:49])[H:50]):[N:29]:[C:27]:2=[O:28])([H:37])[C@@:25]([O:26][H:47])([H:48])[C@@:23]1([O:24][H:45])[H:46])([H:42])[H:43])(=[O:12])[O:13][H:38].[H][O:14][P:15](=[O:16])([O:17][H:39])[O:18][P:19](=[O:20])([O:21][H:40])[O:22][H:41]
Derived Operators
EVODEX.1-F305 - Elemental Balance
| P | 1 |
| O | 4 |
| H | 3 |
EVODEX.1-M26 - Mass Difference
97.97689
EVODEX.1-E1077 - Reaction Operator E
[#15:12]-[#8:19]-[#15:20](=[#8:21])(-[#8:22])-[#8:23]>>[#15:12]-[#8:19]-[H].[#15:20](=[#8:21])(-[#8:22])(-[#8:23])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H]
EVODEX.1-C890 - Reaction Operator C
([#15:19]-[#8:22].[#6@:53]-[#6@:55])>>([H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:19].[#6@@:55]-[#6@@:53]).[H]-[#8:22]
EVODEX.1-N1112 - Reaction Operator N
([#8:18]-[#15:19](=[#8:20])(-[#8:21])-[#8:22]-[#15:23].[#8:54]-[#6@@:53](-[#6@@:12])(-[H:88])-[#6@:55](-[#6@@:10])(-[#8:56])-[H:90])>>([H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:19](-[#8:18])(=[#8:20])-[#8:21].[#8:56]-[#6@:55](-[#6@@:10])(-[H:90])-[#6@@:53](-[#6@@:12])(-[#8:54])-[H:88]).[H]-[#8:22]-[#15:23]
EVODEX.1-Em36 - Reaction Operator Em
[#8:7]-[#15:8](=[#8:9])(-[#8:10])-[#8:11]-[#15:12]>>[#15]-[#8]-[#15:8](-[#8:7])(=[#8:9])-[#8:10].[H]-[#8:11]-[#15:12]
EVODEX.1-Nm39 - Reaction Operator Nm
[#8:7]-[#15:8](=[#8:9])(-[#8:10])-[#8:11]-[#15:12]>>[#15]-[#8]-[#15:8](-[#8:7])(=[#8:9])-[#8:10].[H]-[#8:11]-[#15:12]
Source Full Reactions
EVODEX.1-R4368
[N:1]([C:2]1:[C:3]([H:35]):[C:4]([H:36]):[N:5]([C@:6]2([H:37])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:38])[O:14][P:15](=[O:16])([O:17][H:39])[O:18][P:19](=[O:20])([O:21][H:40])[O:22][H:41])([H:42])[H:43])([H:44])[C@:23]([O:24][H:45])([H:46])[C@:25]2([O:26][H:47])[H:48]):[C:27](=[O:28]):[N:29]:1)([H:49])[H:50].[H][O:32][P:31](=[O:30])([O:33][H:52])[O:34][H:53]>>[N:1]([C:2]1:[C:3]([H:35]):[C:4]([H:36]):[N:5]([C@:6]2([H:37])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:38])[O:32][P:31](=[O:30])([O:33][H:52])[O:34][H:53])([H:42])[H:43])([H:44])[C@:23]([O:24][H:45])([H:46])[C@:25]2([O:26][H:47])[H:48]):[C:27](=[O:28]):[N:29]:1)([H:49])[H:50].[H][O:14][P:15](=[O:16])([O:17][H:39])[O:18][P:19](=[O:20])([O:21][H:40])[O:22][H:41]