SMIRKS
[O:1]=[C:2]1:[C:3]([H:41]):[C:4]([H:42]):[N:5]([C@@:6]2([H:43])[C:7]([H:44])([H:45])[C@@:8]([O:9][H:46])([H:47])[C@:10]([C:11]([O:12][P:13](=[O:14])([O:15][H:48])[O:16][P:17](=[O:18])([O:19][H:49])[O:20][P:21](=[O:22])([O:23][H:50])[O:24][H:51])([H:52])[H:53])([H:54])[O:25]2):[C:26](=[O:27]):[N:28]:1[H:55].[H][O:34][C:33]1([H:58])[O:32][C@@:31]([C:30]([O:29][H:67])([H:65])[H:66])([H:56])[C@@:39]([O:40][H:63])([H:64])[C@@:37]([O:38][H:61])([H:62])[C@:35]1([O:36][H:59])[H:60]>>[H][O:20][P:17]([O:16][P:13]([O:12][C:11]([C@:10]1([H:54])[C@:8]([O:9][H:46])([H:47])[C:7]([H:44])([H:45])[C@@:6]([N:5]2:[C:4]([H:42]):[C:3]([H:41]):[C:2](=[O:1]):[N:28]([H:55]):[C:26]:2=[O:27])([H:43])[O:25]1)([H:52])[H:53])(=[O:14])[O:15][H:48])(=[O:18])[O:19][H:49].[P:21](=[O:22])([O:23][H:50])([O:24][H:51])[O:34][C@@:33]1([H:58])[O:32][C@@:31]([C:30]([O:29][H:67])([H:65])[H:66])([H:56])[C@@:39]([O:40][H:63])([H:64])[C@@:37]([O:38][H:61])([H:62])[C@:35]1([O:36][H:59])[H:60]
Derived Operators
EVODEX.1-C991 - Reaction Operator C
([#8:20]-[#15:21].[#6@@:8]).[H]-[#8:34]-[#6:33]>>([H]-[#8:20].[#6@:8]).[#15:21]-[#8:34]-[#6@@:33]
EVODEX.1-N1227 - Reaction Operator N
([#6:7]-[#6@@:8](-[#8:9])(-[H:47])-[#6@:10].[#15:17]-[#8:20]-[#15:21](=[#8:22])(-[#8:23])-[#8:24]).[H]-[#8:34]-[#6:33](-[H:58])(-[#8:32])-[#6@:35]>>([H]-[#8:20]-[#15:17].[#8:9]-[#6@@:8](-[#6@:10])(-[H:47])-[#6:7]).[#15:21](=[#8:22])(-[#8:23])(-[#8:24])-[#8:34]-[#6@@:33](-[H:58])(-[#8:32])-[#6@:35]
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-R4089
[O:1]=[C:2]1:[C:3]([H:41]):[C:4]([H:42]):[N:5]([C@@:6]2([H:43])[C:7]([H:44])([H:45])[C@@:8]([O:9][H:46])([H:47])[C@:10]([C:11]([O:12][P:13](=[O:14])([O:15][H:48])[O:16][P:17](=[O:18])([O:19][H:49])[O:20][P:21](=[O:22])([O:23][H:50])[O:24][H:51])([H:52])[H:53])([H:54])[O:25]2):[C:26](=[O:27]):[N:28]:1[H:55].[H][O:34][C:33]1([H:58])[O:32][C@@:31]([C:30]([O:29][H:67])([H:65])[H:66])([H:56])[C@@:39]([O:40][H:63])([H:64])[C@@:37]([O:38][H:61])([H:62])[C@:35]1([O:36][H:59])[H:60]>>[H][O:20][P:17]([O:16][P:13]([O:12][C:11]([C@:10]1([H:54])[C@:8]([O:9][H:46])([H:47])[C:7]([H:44])([H:45])[C@@:6]([N:5]2:[C:4]([H:42]):[C:3]([H:41]):[C:2](=[O:1]):[N:28]([H:55]):[C:26]:2=[O:27])([H:43])[O:25]1)([H:52])[H:53])(=[O:14])[O:15][H:48])(=[O:18])[O:19][H:49].[P:21](=[O:22])([O:23][H:50])([O:24][H:51])[O:34][C@@:33]1([H:58])[O:32][C@@:31]([C:30]([O:29][H:67])([H:65])[H:66])([H:56])[C@@:39]([O:40][H:63])([H:64])[C@@:37]([O:38][H:61])([H:62])[C@:35]1([O:36][H:59])[H:60]