SMIRKS
[H]OP(=O)(O[H])O[P:15]([O:14][C:13]([C@@:12]1([H:38])[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:44]):[N:28]([H:43]):[C:27]:3:2)([H:32])[C@@:25]([O:26][H:41])([H:42])[C@@:23]1([O:24][H:39])[H:40])([H:36])[H:37])(=[O:16])[O:17][H:33].[H][O:29][H:45]>>[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:15](=[O:16])([O:17][H:33])[O:29][H:45])([H:36])[H:37])([H:38])[C@:23]([O:24][H:39])([H:40])[C@:25]3([O:26][H:41])[H:42]):[C:27]:2:[N:28]:1[H:43])[H:44]
Derived Operators
EVODEX.1-F175 - Elemental Balance
| P | -1 |
| O | -4 |
| H | -3 |
EVODEX.1-M10 - Mass Difference
-97.97689
EVODEX.1-E853 - Reaction Operator E
[#8:33]-[#15:34](=[#8:35])(-[#8:36])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H].[#8:42](-[H:66])-[H]>>[#8:33]-[#15:34](=[#8:35])(-[#8:36])-[#8:42]-[H:66]
EVODEX.1-C1002 - Reaction Operator C
([H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:19].[#6@@:29]-[#6@@:27]).[H]-[#8:33]>>([#15:19]-[#8:33].[#6@:27]-[#6@:29])
EVODEX.1-N1372 - Reaction Operator N
([H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:19](-[#8:18])(=[#8:20])-[#8:21].[#8:30]-[#6@:29](-[#6@:10])(-[H:46])-[#6@@:27](-[#6@@:12])(-[#8:28])-[H:44]).[H]-[#8:33]-[H:50]>>([#8:18]-[#15:19](=[#8:20])(-[#8:21])-[#8:33]-[H:50].[#8:28]-[#6@@:27](-[#6@@:12])(-[H:44])-[#6@:29](-[#6@:10])(-[#8:30])-[H:46])
EVODEX.1-Em62 - Reaction Operator Em
[#15]-[#8]-[#15:19](-[#8:18])(=[#8:20])-[#8:21].[H]-[#8:33]>>[#8:18]-[#15:19](=[#8:20])(-[#8:21])-[#8:33]
EVODEX.1-Nm74 - Reaction Operator Nm
[#15]-[#8]-[#15:19](-[#8:18])(=[#8:20])-[#8:21].[H]-[#8:33]>>[#8:18]-[#15:19](=[#8:20])(-[#8:21])-[#8:33]
Source Full Reactions
EVODEX.1-R5044
[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:15](=[O:16])([O:17][H:33])[O:18][P:19](=[O:20])([O:21][H:34])[O:22][H:35])([H:36])[H:37])([H:38])[C@:23]([O:24][H:39])([H:40])[C@:25]3([O:26][H:41])[H:42]):[C:27]:2:[N:28]:1[H:43])[H:44].[H][O:29][H:45]>>[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:15](=[O:16])([O:17][H:33])[O:29][H:45])([H:36])[H:37])([H:38])[C@:23]([O:24][H:39])([H:40])[C@:25]3([O:26][H:41])[H:42]):[C:27]:2:[N:28]:1[H:43])[H:44].[H][O:18][P:19](=[O:20])([O:21][H:34])[O:22][H:35]