SMIRKS
[O:2]=[C:3]1:[N:4]([H:30]):[C:5](=[O:6]):[C:7]2:[N:8]:[C:9]([H:31]):[N:10]([C@:11]3([H:32])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:33])[O:19][P:20](=[O:21])([O:22][H:34])[O:23][H:35])([H:36])[H:37])([H:38])[C@:24]([O:25][H:39])([H:40])[C@:26]3([O:27][H:41])[H:42]):[C:28]:2:[N:29]:1[H:43]>>[H][O:19][P:20](=[O:21])([O:22][H:34])[O:23][H:35].[H]O[P:16]([O:15][C:14]([C@@:13]1([H:38])[O:12][C@:11]([N:10]2:[C:9]([H:31]):[N:8]:[C:7]3:[C:5](=[O:6]):[N:4]([H:30]):[C:3](=[O:2]):[N:29]([H:43]):[C:28]:3:2)([H:32])[C@@:26]([O:27][H:41])([H:42])[C@@:24]1([O:25][H:39])[H:40])([H:36])[H:37])(=[O:17])[O:18][H:33]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E336 - Reaction Operator E
([#8:24]-[#15:25](=[#8:26])(-[#8:27])-[#8:28]-[#15:29].[#8:34]-[#6@@:33](-[#6@@:18])(-[H:49])-[#6@:35](-[#6@:16])(-[#8:36])-[H:51])>>([#8](-[#15:25](-[#8:24])(=[#8:26])-[#8:27])-[H].[#8:36]-[#6@:35](-[#6@:16])(-[H:51])-[#6@@:33](-[#6@@:18])(-[#8:34])-[H:49]).[#8:28](-[#15:29])-[H]
EVODEX.1-C520 - Reaction Operator C
([#15:16]-[#8:19].[#6@:28]-[#6@:30])>>[H]-[#8:19].([H]-[#8]-[#15:16].[#6@@:30]-[#6@@:28])
EVODEX.1-N660 - Reaction Operator N
([#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:19]-[#15:20].[#8:29]-[#6@@:28](-[#6@@:13])(-[H:45])-[#6@:30](-[#6@:11])(-[#8:31])-[H:47])>>[H]-[#8:19]-[#15:20].([H]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[#8:31]-[#6@:30](-[#6@:11])(-[H:47])-[#6@@:28](-[#6@@:13])(-[#8:29])-[H:45])
EVODEX.1-Em122 - Reaction Operator Em
[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:19]-[#15:20]>>[H]-[#8:19]-[#15:20].[H]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18]
EVODEX.1-Nm156 - Reaction Operator Nm
[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:19]-[#15:20]>>[H]-[#8:19]-[#15:20].[H]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18]
Source Full Reactions
EVODEX.1-R6647
[O:2]=[C:3]1:[N:4]([H:30]):[C:5](=[O:6]):[C:7]2:[N:8]:[C:9]([H:31]):[N:10]([C@:11]3([H:32])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:33])[O:19][P:20](=[O:21])([O:22][H:34])[O:23][H:35])([H:36])[H:37])([H:38])[C@:24]([O:25][H:39])([H:40])[C@:26]3([O:27][H:41])[H:42]):[C:28]:2:[N:29]:1[H:43].[H][O:1][H:44]>>[H][O:19][P:20](=[O:21])([O:22][H:34])[O:23][H:35].[O:1]([P:16]([O:15][C:14]([C@@:13]1([H:38])[O:12][C@:11]([N:10]2:[C:9]([H:31]):[N:8]:[C:7]3:[C:5](=[O:6]):[N:4]([H:30]):[C:3](=[O:2]):[N:29]([H:43]):[C:28]:3:2)([H:32])[C@@:26]([O:27][H:41])([H:42])[C@@:24]1([O:25][H:39])[H:40])([H:36])[H:37])(=[O:17])[O:18][H:33])[H:44]