SMIRKS
[O:2]=[C:3]1:[N:4]([H:37]):[C:5]([H:38]):[N:6]:[C:7]2:[C:8]:1:[N:9]:[C:10]([H:39]):[N:11]:2[C@:12]1([H:40])[O:13][C@@:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:41])[O:20][P:21](=[O:22])([O:23][H:42])[O:24][P:25](=[O:26])([O:27][H:43])[O:28][P:29](=[O:30])([O:31][H:44])[O:32][H:45])([H:46])[H:47])([H:48])[C@:33]([O:34][H:49])([H:50])[C@:35]1([O:36][H:51])[H:52].[H][O:1][H:53]>>[O:1]([P:25]([O:24][P:21]([O:20][P:17]([O:16][C:15]([C@@:14]1([H:48])[O:13][C@:12]([N:11]2:[C:7]3:[N:6]:[C:5]([H:38]):[N:4]([H:37]):[C:3](=[O:2]):[C:8]:3:[N:9]:[C:10]:2[H:39])([H:40])[C@@:35]([O:36][H:51])([H:52])[C@@:33]1([O:34][H:49])[H:50])([H:46])[H:47])(=[O:18])[O:19][H:41])(=[O:22])[O:23][H:42])(=[O:26])[O:27][H:43])[H:53].[H][O:28][P:29](=[O:30])([O:31][H:44])[O:32][H:45]
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-R6604
[O:2]=[C:3]1:[N:4]([H:37]):[C:5]([H:38]):[N:6]:[C:7]2:[C:8]:1:[N:9]:[C:10]([H:39]):[N:11]:2[C@:12]1([H:40])[O:13][C@@:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:41])[O:20][P:21](=[O:22])([O:23][H:42])[O:24][P:25](=[O:26])([O:27][H:43])[O:28][P:29](=[O:30])([O:31][H:44])[O:32][H:45])([H:46])[H:47])([H:48])[C@:33]([O:34][H:49])([H:50])[C@:35]1([O:36][H:51])[H:52].[H][O:1][H:53]>>[O:1]([P:25]([O:24][P:21]([O:20][P:17]([O:16][C:15]([C@@:14]1([H:48])[O:13][C@:12]([N:11]2:[C:7]3:[N:6]:[C:5]([H:38]):[N:4]([H:37]):[C:3](=[O:2]):[C:8]:3:[N:9]:[C:10]:2[H:39])([H:40])[C@@:35]([O:36][H:51])([H:52])[C@@:33]1([O:34][H:49])[H:50])([H:46])[H:47])(=[O:18])[O:19][H:41])(=[O:22])[O:23][H:42])(=[O:26])[O:27][H:43])[H:53].[H][O:28][P:29](=[O:30])([O:31][H:44])[O:32][H:45]