SMIRKS
[O:2]=[C:3]1:[N:4]([H:29]):[C:5]([H:30]):[N:6]:[C:7]2:[C:8]:1:[N:9]:[C:10]([H:31]):[N:11]:2[C@:12]1([H:32])[O:13][C@@:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:33])[O:20][P:21](=[O:22])([O:23][H:34])[O:24][H:35])([H:36])[H:37])([H:38])[C@:25]([O:26][H:39])([H:40])[C@:27]1([O:28][H:41])[H:42]>>[H]O[P:17]([O:16][C:15]([C@@:14]1([H:38])[O:13][C@:12]([N:11]2:[C:7]3:[N:6]:[C:5]([H:30]):[N:4]([H:29]):[C:3](=[O:2]):[C:8]:3:[N:9]:[C:10]:2[H:31])([H:32])[C@@:27]([O:28][H:41])([H:42])[C@@:25]1([O:26][H:39])[H:40])([H:36])[H:37])(=[O:18])[O:19][H:33].[H][O:20][P:21](=[O:22])([O:23][H:34])[O:24][H:35]
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-R5042
[O:2]=[C:3]1:[N:4]([H:29]):[C:5]([H:30]):[N:6]:[C:7]2:[C:8]:1:[N:9]:[C:10]([H:31]):[N:11]:2[C@:12]1([H:32])[O:13][C@@:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:33])[O:20][P:21](=[O:22])([O:23][H:34])[O:24][H:35])([H:36])[H:37])([H:38])[C@:25]([O:26][H:39])([H:40])[C@:27]1([O:28][H:41])[H:42].[H][O:1][H:43]>>[O:1]([P:17]([O:16][C:15]([C@@:14]1([H:38])[O:13][C@:12]([N:11]2:[C:7]3:[N:6]:[C:5]([H:30]):[N:4]([H:29]):[C:3](=[O:2]):[C:8]:3:[N:9]:[C:10]:2[H:31])([H:32])[C@@:27]([O:28][H:41])([H:42])[C@@:25]1([O:26][H:39])[H:40])([H:36])[H:37])(=[O:18])[O:19][H:33])[H:43].[H][O:20][P:21](=[O:22])([O:23][H:34])[O:24][H:35]