SMIRKS
[H][O:7][C:6]([C:5]1:[C:4]([H:42]):[C:3]([H:41]):[C:2]([C:1]([H:48])([H:49])[H:50]):[C:9]([H:47]):[C:8]:1[H:46])([H:44])[H:45].[N:10]([C:11]1:[N:12]:[C:13]([H:51]):[N:14]:[C:15]2:[C:16]:1:[N:17]:[C:18]([H:52]):[N:19]:2[C@:20]1([H:53])[O:21][C@@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:54])[O:28][S:29](=[O:30])(=[O:31])[O:32][H:55])([H:56])[H:57])([H:58])[C@:33]([O:34][P:35](=[O:36])([O:37][H:59])[O:38][H:60])([H:61])[C@:39]1([O:40][H:62])[H:63])([H:64])[H:65]>>[C:1]([C:2]1:[C:3]([H:41]):[C:4]([H:42]):[C:5]([C:6]([O:7][S:29](=[O:30])(=[O:31])[O:32][H:55])([H:44])[H:45]):[C:8]([H:46]):[C:9]:1[H:47])([H:48])([H:49])[H:50].[H][O:28][P:25]([O:24][C:23]([C@@:22]1([H:58])[O:21][C@:20]([N:19]2:[C:15]3:[N:14]:[C:13]([H:51]):[N:12]:[C:11]([N:10]([H:64])[H:65]):[C:16]:3:[N:17]:[C:18]:2[H:52])([H:53])[C@@:39]([O:40][H:62])([H:63])[C@@:33]1([O:34][P:35](=[O:36])([O:37][H:59])[O:38][H:60])[H:61])([H:56])[H:57])(=[O:26])[O:27][H:54]
Derived Operators
EVODEX.1-E243 - Reaction Operator E
[#15:33]-[#8:36]-[#16:37](=[#8:38])(=[#8:39])-[#8:40].[#6:7]-[#8:8]-[H]>>[#15:33]-[#8:36]-[H].[#6:7]-[#8:8]-[#16:37](=[#8:38])(=[#8:39])-[#8:40]
EVODEX.1-C999 - Reaction Operator C
([#8:19]-[#16:20].[#6@:24]-[#6@:30]).[H]-[#8:32]>>([H]-[#8:19].[#6@@:30]-[#6@@:24]).[#16:20]-[#8:32]
EVODEX.1-N1237 - Reaction Operator N
([#15:16]-[#8:19]-[#16:20](=[#8:21])(=[#8:22])-[#8:23].[#8:25]-[#6@@:24](-[#6@@:13])(-[H:60])-[#6@:30](-[#6@:11])(-[#8:31])-[H:62]).[H]-[#8:32]-[#6:33]>>([H]-[#8:19]-[#15:16].[#8:31]-[#6@:30](-[#6@:11])(-[H:62])-[#6@@:24](-[#6@@:13])(-[#8:25])-[H:60]).[#16:20](=[#8:21])(=[#8:22])(-[#8:23])-[#8:32]-[#6:33]
EVODEX.1-Em569 - Reaction Operator Em
[H]-[#8:11]-[#6:10].[#15:37]-[#8:40]-[#16:41](=[#8:42])(=[#8:43])-[#8:44]>>[#6:10]-[#8:11]-[#16:41](=[#8:42])(=[#8:43])-[#8:44].[H]-[#8:40]-[#15:37]
EVODEX.1-Nm515 - Reaction Operator Nm
[H]-[#8:11]-[#6:10].[#15:37]-[#8:40]-[#16:41](=[#8:42])(=[#8:43])-[#8:44]>>[#6:10]-[#8:11]-[#16:41](=[#8:42])(=[#8:43])-[#8:44].[H]-[#8:40]-[#15:37]
Source Full Reactions
EVODEX.1-R4582
[H][O:7][C:6]([C:5]1:[C:4]([H:42]):[C:3]([H:41]):[C:2]([C:1]([H:48])([H:49])[H:50]):[C:9]([H:47]):[C:8]:1[H:46])([H:44])[H:45].[N:10]([C:11]1:[N:12]:[C:13]([H:51]):[N:14]:[C:15]2:[C:16]:1:[N:17]:[C:18]([H:52]):[N:19]:2[C@:20]1([H:53])[O:21][C@@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:54])[O:28][S:29](=[O:30])(=[O:31])[O:32][H:55])([H:56])[H:57])([H:58])[C@:33]([O:34][P:35](=[O:36])([O:37][H:59])[O:38][H:60])([H:61])[C@:39]1([O:40][H:62])[H:63])([H:64])[H:65]>>[C:1]([C:2]1:[C:3]([H:41]):[C:4]([H:42]):[C:5]([C:6]([O:7][S:29](=[O:30])(=[O:31])[O:32][H:55])([H:44])[H:45]):[C:8]([H:46]):[C:9]:1[H:47])([H:48])([H:49])[H:50].[H][O:28][P:25]([O:24][C:23]([C@@:22]1([H:58])[O:21][C@:20]([N:19]2:[C:15]3:[N:14]:[C:13]([H:51]):[N:12]:[C:11]([N:10]([H:64])[H:65]):[C:16]:3:[N:17]:[C:18]:2[H:52])([H:53])[C@@:39]([O:40][H:62])([H:63])[C@@:33]1([O:34][P:35](=[O:36])([O:37][H:59])[O:38][H:60])[H:61])([H:56])[H:57])(=[O:26])[O:27][H:54]