SMIRKS
[H][O:9][C:8]([C:7]([C:6]1:[C:2]([C:1]([H:47])([H:48])[H:49]):[N:3]:[C:4]([H:41]):[S:5]:1)([H:45])[H:46])([H:43])[H:44].[N:10]([C:11]1:[N:12]:[C:13]([H:50]):[N:14]:[C:15]2:[C:16]:1:[N:17]:[C:18]([H:51]):[N:19]:2[C@:20]1([H:52])[O:21][C@@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:53])[O:28][P:29](=[O:30])([O:31][H:54])[O:32][P:33](=[O:34])([O:35][H:55])[O:36][H:56])([H:57])[H:58])([H:59])[C@:37]([O:38][H:60])([H:61])[C@:39]1([O:40][H:62])[H:63])([H:64])[H:65]>>[C:1]([C:2]1:[N:3]:[C:4]([H:41]):[S:5]:[C:6]:1[C:7]([C:8]([O:9][P:33](=[O:34])([O:35][H:55])[O:36][H:56])([H:43])[H:44])([H:45])[H:46])([H:47])([H:48])[H:49].[H][O:32][P:29]([O:28][P:25]([O:24][C:23]([C@@:22]1([H:59])[O:21][C@:20]([N:19]2:[C:15]3:[N:14]:[C:13]([H:50]):[N:12]:[C:11]([N:10]([H:64])[H:65]):[C:16]:3:[N:17]:[C:18]:2[H:51])([H:52])[C@@:39]([O:40][H:62])([H:63])[C@@:37]1([O:38][H:60])[H:61])([H:57])[H:58])(=[O:26])[O:27][H:53])(=[O:30])[O:31][H:54]
Derived Operators
EVODEX.1-E79 - Reaction Operator E
[#15:79]-[#8:82]-[#15:83](=[#8:84])(-[#8:85])-[#8:86].[#6:53]-[#8:55]-[H]>>[#15:79]-[#8:82]-[H].[#6:53]-[#8:55]-[#15:83](=[#8:84])(-[#8:85])-[#8:86]
EVODEX.1-C22 - Reaction Operator C
([#8:10]-[#15:11].[#6@:15]-[#6@:17]).[H]-[#8:35]>>([H]-[#8:10].[#6@@:17]-[#6@@:15]).[#15:11]-[#8:35]
EVODEX.1-N13 - Reaction Operator N
([#15:16]-[#8:19]-[#15:20](=[#8:21])(-[#8:22])-[#8:23].[#8:29]-[#6@@:28](-[#6@@:13])(-[H:74])-[#6@:30](-[#6@:11])(-[#8:31])-[H:76]).[H]-[#8:60]-[#6@:59]>>([H]-[#8:19]-[#15:16].[#8:31]-[#6@:30](-[#6@:11])(-[H:76])-[#6@@:28](-[#6@@:13])(-[#8:29])-[H:74]).[#15:20](=[#8:21])(-[#8:22])(-[#8:23])-[#8:60]-[#6@:59]
EVODEX.1-Em16 - Reaction Operator Em
[#15:23]-[#8:26]-[#15:27](=[#8:28])(-[#8:29])-[#8:30].[H]-[#8:65]-[#6:66]>>[H]-[#8:26]-[#15:23].[#15:27](=[#8:28])(-[#8:29])(-[#8:30])-[#8:65]-[#6:66]
EVODEX.1-Nm19 - Reaction Operator Nm
[#15:23]-[#8:26]-[#15:27](=[#8:28])(-[#8:29])-[#8:30].[H]-[#8:65]-[#6:66]>>[H]-[#8:26]-[#15:23].[#15:27](=[#8:28])(-[#8:29])(-[#8:30])-[#8:65]-[#6:66]
Source Full Reactions
EVODEX.1-R4065
[H][O:9][C:8]([C:7]([C:6]1:[C:2]([C:1]([H:47])([H:48])[H:49]):[N:3]:[C:4]([H:41]):[S:5]:1)([H:45])[H:46])([H:43])[H:44].[N:10]([C:11]1:[N:12]:[C:13]([H:50]):[N:14]:[C:15]2:[C:16]:1:[N:17]:[C:18]([H:51]):[N:19]:2[C@:20]1([H:52])[O:21][C@@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:53])[O:28][P:29](=[O:30])([O:31][H:54])[O:32][P:33](=[O:34])([O:35][H:55])[O:36][H:56])([H:57])[H:58])([H:59])[C@:37]([O:38][H:60])([H:61])[C@:39]1([O:40][H:62])[H:63])([H:64])[H:65]>>[C:1]([C:2]1:[N:3]:[C:4]([H:41]):[S:5]:[C:6]:1[C:7]([C:8]([O:9][P:33](=[O:34])([O:35][H:55])[O:36][H:56])([H:43])[H:44])([H:45])[H:46])([H:47])([H:48])[H:49].[H][O:32][P:29]([O:28][P:25]([O:24][C:23]([C@@:22]1([H:59])[O:21][C@:20]([N:19]2:[C:15]3:[N:14]:[C:13]([H:50]):[N:12]:[C:11]([N:10]([H:64])[H:65]):[C:16]:3:[N:17]:[C:18]:2[H:51])([H:52])[C@@:39]([O:40][H:62])([H:63])[C@@:37]1([O:38][H:60])[H:61])([H:57])[H:58])(=[O:26])[O:27][H:53])(=[O:30])[O:31][H:54]