SMIRKS
[O:2]=[C:3]1:[N:4]([H:34]):[C:5](=[O:6]):[C:7]2:[N:8]:[C:9]([H:35]):[N:10]([C@:11]3([H:36])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:37])[O:19][P:20](=[O:21])([O:22][H:38])[O:23][P:24](=[O:25])([O:26][H:39])[O:27][H:40])([H:41])[H:42])([H:43])[C@:28]([O:29][H:44])([H:45])[C@:30]3([O:31][H:46])[H:47]):[C:32]:2:[N:33]:1[H:48].[H][O:1][H:49]>>[O:1]([P:20]([O:19][P:16]([O:15][C:14]([C@@:13]1([H:43])[O:12][C@:11]([N:10]2:[C:9]([H:35]):[N:8]:[C:7]3:[C:5](=[O:6]):[N:4]([H:34]):[C:3](=[O:2]):[N:33]([H:48]):[C:32]:3:2)([H:36])[C@@:30]([O:31][H:46])([H:47])[C@@:28]1([O:29][H:44])[H:45])([H:41])[H:42])(=[O:17])[O:18][H:37])(=[O:21])[O:22][H:38])[H:49].[H][O:23][P:24](=[O:25])([O:26][H:39])[O:27][H:40]
Derived Operators
EVODEX.1-E72 - 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]).[#8:1](-[H:52])-[H]>>([#8:1](-[#15:25](-[#8:24])(=[#8:26])-[#8:27])-[H:52].[#8:36]-[#6@:35](-[#6@:16])(-[H:51])-[#6@@:33](-[#6@@:18])(-[#8:34])-[H:49]).[#8:28](-[#15:29])-[H]
EVODEX.1-C177 - Reaction Operator C
([#15:16]-[#8:19].[#6@:24]-[#6@:26]).[H]-[#8:1]>>[H]-[#8:19].([#8:1]-[#15:16].[#6@@:26]-[#6@@:24])
EVODEX.1-N664 - Reaction Operator N
([#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:19]-[#15:20].[#8:25]-[#6@@:24](-[#6@@:13])(-[H:40])-[#6@:26](-[#6@:11])(-[#8:27])-[H:42]).[H]-[#8:1]-[H:44]>>[H]-[#8:19]-[#15:20].([#8:1](-[#15:16](-[#8:15])(=[#8:17])-[#8:18])-[H:44].[#8:27]-[#6@:26](-[#6@:11])(-[H:42])-[#6@@:24](-[#6@@:13])(-[#8:25])-[H:40])
EVODEX.1-Em123 - Reaction Operator Em
[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:19]-[#15:20].[H]-[#8:1]>>[H]-[#8:19]-[#15:20].[#8:1]-[#15:16](-[#8:15])(=[#8:17])-[#8:18]
EVODEX.1-Nm157 - Reaction Operator Nm
[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:19]-[#15:20].[H]-[#8:1]>>[H]-[#8:19]-[#15:20].[#8:1]-[#15:16](-[#8:15])(=[#8:17])-[#8:18]
Source Full Reactions
EVODEX.1-R6615
[O:2]=[C:3]1:[N:4]([H:34]):[C:5](=[O:6]):[C:7]2:[N:8]:[C:9]([H:35]):[N:10]([C@:11]3([H:36])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:37])[O:19][P:20](=[O:21])([O:22][H:38])[O:23][P:24](=[O:25])([O:26][H:39])[O:27][H:40])([H:41])[H:42])([H:43])[C@:28]([O:29][H:44])([H:45])[C@:30]3([O:31][H:46])[H:47]):[C:32]:2:[N:33]:1[H:48].[H][O:1][H:49]>>[O:1]([P:20]([O:19][P:16]([O:15][C:14]([C@@:13]1([H:43])[O:12][C@:11]([N:10]2:[C:9]([H:35]):[N:8]:[C:7]3:[C:5](=[O:6]):[N:4]([H:34]):[C:3](=[O:2]):[N:33]([H:48]):[C:32]:3:2)([H:36])[C@@:30]([O:31][H:46])([H:47])[C@@:28]1([O:29][H:44])[H:45])([H:41])[H:42])(=[O:17])[O:18][H:37])(=[O:21])[O:22][H:38])[H:49].[H][O:23][P:24](=[O:25])([O:26][H:39])[O:27][H:40]