SMIRKS
[N:1]([C:2]1:[N:3]:[C:4]([H:50]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:51]):[N:10]:2[C@:11]1([H:52])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:53])[O:19][S:20](=[O:21])(=[O:22])[O:23][H:54])([H:55])[H:56])([H:57])[C@:24]([O:25][P:26](=[O:27])([O:28][H:58])[O:29][H:59])([H:60])[C@:30]1([O:31][H:61])[H:62])([H:63])[H:64].[H][O:32][C:33]1:[C:34]([Cl:35]):[C:36]([H:65]):[C:37]([C:38]2:[C:39]([H:66]):[C:40]([H:67]):[C:41]([Cl:42]):[C:43]([Cl:44]):[C:45]:2[H:68]):[C:46]([Cl:47]):[C:48]:1[Cl:49]>>[H][O:19][P:16]([O:15][C:14]([C@@:13]1([H:57])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:50]):[N:3]:[C:2]([N:1]([H:63])[H:64]):[C:7]:3:[N:8]:[C:9]:2[H:51])([H:52])[C@@:30]([O:31][H:61])([H:62])[C@@:24]1([O:25][P:26](=[O:27])([O:28][H:58])[O:29][H:59])[H:60])([H:55])[H:56])(=[O:17])[O:18][H:53].[S:20](=[O:21])(=[O:22])([O:23][H:54])[O:32][C:33]1:[C:34]([Cl:35]):[C:36]([H:65]):[C:37]([C:38]2:[C:39]([H:66]):[C:40]([H:67]):[C:41]([Cl:42]):[C:43]([Cl:44]):[C:45]:2[H:68]):[C:46]([Cl:47]):[C:48]:1[Cl:49]
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-R4634
[N:1]([C:2]1:[N:3]:[C:4]([H:50]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:51]):[N:10]:2[C@:11]1([H:52])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:53])[O:19][S:20](=[O:21])(=[O:22])[O:23][H:54])([H:55])[H:56])([H:57])[C@:24]([O:25][P:26](=[O:27])([O:28][H:58])[O:29][H:59])([H:60])[C@:30]1([O:31][H:61])[H:62])([H:63])[H:64].[H][O:32][C:33]1:[C:34]([Cl:35]):[C:36]([H:65]):[C:37]([C:38]2:[C:39]([H:66]):[C:40]([H:67]):[C:41]([Cl:42]):[C:43]([Cl:44]):[C:45]:2[H:68]):[C:46]([Cl:47]):[C:48]:1[Cl:49]>>[H][O:19][P:16]([O:15][C:14]([C@@:13]1([H:57])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:50]):[N:3]:[C:2]([N:1]([H:63])[H:64]):[C:7]:3:[N:8]:[C:9]:2[H:51])([H:52])[C@@:30]([O:31][H:61])([H:62])[C@@:24]1([O:25][P:26](=[O:27])([O:28][H:58])[O:29][H:59])[H:60])([H:55])[H:56])(=[O:17])[O:18][H:53].[S:20](=[O:21])(=[O:22])([O:23][H:54])[O:32][C:33]1:[C:34]([Cl:35]):[C:36]([H:65]):[C:37]([C:38]2:[C:39]([H:66]):[C:40]([H:67]):[C:41]([Cl:42]):[C:43]([Cl:44]):[C:45]:2[H:68]):[C:46]([Cl:47]):[C:48]:1[Cl:49]