SMIRKS
[H][O:12][P:10]([O:9][C:8]([C@:6]([C@@:2]([C:1]([H:55])([H:56])[H:57])([O:3][H:45])[C:4]([O:5][H:46])([H:47])[H:48])([O:7][H:49])[H:54])([H:52])[H:53])(=[O:11])[O:13][H:51].[N:14]([C:15]1:[N:16]:[C:17]([H:58]):[N:18]:[C:19]2:[C:20]:1:[N:21]:[C:22]([H:59]):[N:23]:2[C@:24]1([H:60])[O:25][C@@:26]([C:27]([O:28][P:29](=[O:30])([O:31][H:61])[O:32][P:33](=[O:34])([O:35][H:62])[O:36][P:37](=[O:38])([O:39][H:63])[O:40][H:64])([H:65])[H:66])([H:67])[C@:41]([O:42][H:68])([H:69])[C@:43]1([O:44][H:70])[H:71])([H:72])[H:73]>>[C:1]([C@:2]([O:3][H:45])([C:4]([O:5][H:46])([H:47])[H:48])[C@:6]([O:7][H:49])([C:8]([O:9][P:10](=[O:11])([O:12][P:29]([O:28][C:27]([C@@:26]1([H:67])[O:25][C@:24]([N:23]2:[C:19]3:[N:18]:[C:17]([H:58]):[N:16]:[C:15]([N:14]([H:72])[H:73]):[C:20]:3:[N:21]:[C:22]:2[H:59])([H:60])[C@@:43]([O:44][H:70])([H:71])[C@@:41]1([O:42][H:68])[H:69])([H:65])[H:66])(=[O:30])[O:31][H:61])[O:13][H:51])([H:52])[H:53])[H:54])([H:55])([H:56])[H:57].[H][O:32][P:33](=[O:34])([O:35][H:62])[O:36][P:37](=[O:38])([O:39][H:63])[O:40][H:64]
Derived Operators
EVODEX.1-E74 - Reaction Operator E
[#15:24]-[#8:26]-[H].([#8:46]-[#15:47](=[#8:48])(-[#8:49])-[#8:50]-[#15:51].[#8:60]-[#6@@:59](-[#6@@:44])(-[H:90])-[#6@:61](-[#6@:42])(-[#8:62])-[H:92])>>([#15:24]-[#8:26]-[#15:47](-[#8:46])(=[#8:48])-[#8:49].[#8:62]-[#6@:61](-[#6@:42])(-[H:92])-[#6@@:59](-[#6@@:44])(-[#8:60])-[H:90]).[#8:50](-[#15:51])-[H]
EVODEX.1-C1044 - Reaction Operator C
([H]-[#8:12].[#6@@:2]).([#15:29]-[#8:32].[#6@:41]-[#6@:43])>>([#8:12]-[#15:29].[#6@:2].[#6@@:43]-[#6@@:41]).[H]-[#8:32]
EVODEX.1-N1710 - Reaction Operator N
([H]-[#8:12]-[#15:10].[#6:1]-[#6@:2](-[#6@:6])(-[#8:3])-[#6:4]).([#8:28]-[#15:29](=[#8:30])(-[#8:31])-[#8:32]-[#15:33].[#8:42]-[#6@@:41](-[#6@@:26])(-[H:69])-[#6@:43](-[#6@:24])(-[#8:44])-[H:71])>>([#6:1]-[#6@:2](-[#8:3])(-[#6:4])-[#6@:6].[#15:10]-[#8:12]-[#15:29](-[#8:28])(=[#8:30])-[#8:31].[#8:44]-[#6@:43](-[#6@:24])(-[H:71])-[#6@@:41](-[#6@@:26])(-[#8:42])-[H:69]).[H]-[#8:32]-[#15:33]
EVODEX.1-Em47 - Reaction Operator Em
[H]-[#8:21]-[#15:19].[#8:44]-[#15:45](=[#8:46])(-[#8:47])-[#8:48]-[#15:49]>>[#15:19]-[#8:21]-[#15:45](-[#8:44])(=[#8:46])-[#8:47].[H]-[#8:48]-[#15:49]
EVODEX.1-Nm53 - Reaction Operator Nm
[H]-[#8:21]-[#15:19].[#8:44]-[#15:45](=[#8:46])(-[#8:47])-[#8:48]-[#15:49]>>[#15:19]-[#8:21]-[#15:45](-[#8:44])(=[#8:46])-[#8:47].[H]-[#8:48]-[#15:49]
Source Full Reactions
EVODEX.1-R4484
[H][O:12][P:10]([O:9][C:8]([C@:6]([C@@:2]([C:1]([H:55])([H:56])[H:57])([O:3][H:45])[C:4]([O:5][H:46])([H:47])[H:48])([O:7][H:49])[H:54])([H:52])[H:53])(=[O:11])[O:13][H:51].[N:14]([C:15]1:[N:16]:[C:17]([H:58]):[N:18]:[C:19]2:[C:20]:1:[N:21]:[C:22]([H:59]):[N:23]:2[C@:24]1([H:60])[O:25][C@@:26]([C:27]([O:28][P:29](=[O:30])([O:31][H:61])[O:32][P:33](=[O:34])([O:35][H:62])[O:36][P:37](=[O:38])([O:39][H:63])[O:40][H:64])([H:65])[H:66])([H:67])[C@:41]([O:42][H:68])([H:69])[C@:43]1([O:44][H:70])[H:71])([H:72])[H:73]>>[C:1]([C@:2]([O:3][H:45])([C:4]([O:5][H:46])([H:47])[H:48])[C@:6]([O:7][H:49])([C:8]([O:9][P:10](=[O:11])([O:12][P:29]([O:28][C:27]([C@@:26]1([H:67])[O:25][C@:24]([N:23]2:[C:19]3:[N:18]:[C:17]([H:58]):[N:16]:[C:15]([N:14]([H:72])[H:73]):[C:20]:3:[N:21]:[C:22]:2[H:59])([H:60])[C@@:43]([O:44][H:70])([H:71])[C@@:41]1([O:42][H:68])[H:69])([H:65])[H:66])(=[O:30])[O:31][H:61])[O:13][H:51])([H:52])[H:53])[H:54])([H:55])([H:56])[H:57].[H][O:32][P:33](=[O:34])([O:35][H:62])[O:36][P:37](=[O:38])([O:39][H:63])[O:40][H:64]