SMIRKS
[H][O:10][P:8]([O:7][C@:6]1([H:54])[C@@:5]([N:4]([C:2]([C:1]([H:63])([H:64])[H:65])=[O:3])[H:62])([H:51])[C@:20]([O:21][H:60])([H:61])[C@@:18]([O:19][H:58])([H:59])[C@:13]([C:14]([N:15]=[N+:16]=[N-:17])([H:55])[H:56])([H:57])[O:12]1)(=[O:9])[O:11][H:53].[O:22]=[C:23]1:[C:24]([H:66]):[C:25]([H:67]):[N:26]([C@:27]2([H:68])[O:28][C@@:29]([C:30]([O:31][P:32](=[O:33])([O:34][H:69])[O:35][P:36](=[O:37])([O:38][H:70])[O:39][P:40](=[O:41])([O:42][H:71])[O:43][H:72])([H:73])[H:74])([H:75])[C@:44]([O:45][H:76])([H:77])[C@:46]2([O:47][H:78])[H:79]):[C:48](=[O:49]):[N:50]:1[H:80]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:51])[C@:6]([O:7][P:8](=[O:9])([O:10][P:32]([O:31][C:30]([C@@:29]2([H:75])[O:28][C@:27]([N:26]3:[C:25]([H:67]):[C:24]([H:66]):[C:23](=[O:22]):[N:50]([H:80]):[C:48]:3=[O:49])([H:68])[C@@:46]([O:47][H:78])([H:79])[C@@:44]2([O:45][H:76])[H:77])([H:73])[H:74])(=[O:33])[O:34][H:69])[O:11][H:53])([H:54])[O:12][C@@:13]([C:14]([N:15]=[N+:16]=[N-:17])([H:55])[H:56])([H:57])[C@:18]([O:19][H:58])([H:59])[C@@:20]1([O:21][H:60])[H:61])[H:62])([H:63])([H:64])[H:65].[H][O:35][P:36](=[O:37])([O:38][H:70])[O:39][P:40](=[O:41])([O:42][H:71])[O:43][H:72]
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-C1105 - Reaction Operator C
([#15:24]-[#8:27].[#6@:36]-[#6@:38]).([H]-[#8:7].[#6@@:12]-[#6@@:10]-[#6@:8])>>([#8:7]-[#15:24].[#6@@:38]-[#6@@:36].[#6@@:8]-[#6@:10]-[#6@:12]).[H]-[#8:27]
EVODEX.1-N1699 - Reaction Operator N
([H]-[#8:10]-[#15:8].[#8:21]-[#6@@:20](-[#6@@:5])(-[H:61])-[#6@@:18](-[#8:19])(-[H:59])-[#6@:13](-[#6:14])(-[H:57])-[#8:12]).([#8:31]-[#15:32](=[#8:33])(-[#8:34])-[#8:35]-[#15:36].[#8:45]-[#6@@:44](-[#6@@:29])(-[H:77])-[#6@:46](-[#6@:27])(-[#8:47])-[H:79])>>([#15:8]-[#8:10]-[#15:32](-[#8:31])(=[#8:33])-[#8:34].[#8:47]-[#6@:46](-[#6@:27])(-[H:79])-[#6@@:44](-[#6@@:29])(-[#8:45])-[H:77].[#8:12]-[#6@@:13](-[#6:14])(-[H:57])-[#6@:18](-[#8:19])(-[H:59])-[#6@@:20](-[#6@@:5])(-[#8:21])-[H:61]).[H]-[#8:35]-[#15:36]
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-R4402
[H][O:10][P:8]([O:7][C@:6]1([H:54])[C@@:5]([N:4]([C:2]([C:1]([H:63])([H:64])[H:65])=[O:3])[H:62])([H:51])[C@:20]([O:21][H:60])([H:61])[C@@:18]([O:19][H:58])([H:59])[C@:13]([C:14]([N:15]=[N+:16]=[N-:17])([H:55])[H:56])([H:57])[O:12]1)(=[O:9])[O:11][H:53].[O:22]=[C:23]1:[C:24]([H:66]):[C:25]([H:67]):[N:26]([C@:27]2([H:68])[O:28][C@@:29]([C:30]([O:31][P:32](=[O:33])([O:34][H:69])[O:35][P:36](=[O:37])([O:38][H:70])[O:39][P:40](=[O:41])([O:42][H:71])[O:43][H:72])([H:73])[H:74])([H:75])[C@:44]([O:45][H:76])([H:77])[C@:46]2([O:47][H:78])[H:79]):[C:48](=[O:49]):[N:50]:1[H:80]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:51])[C@:6]([O:7][P:8](=[O:9])([O:10][P:32]([O:31][C:30]([C@@:29]2([H:75])[O:28][C@:27]([N:26]3:[C:25]([H:67]):[C:24]([H:66]):[C:23](=[O:22]):[N:50]([H:80]):[C:48]:3=[O:49])([H:68])[C@@:46]([O:47][H:78])([H:79])[C@@:44]2([O:45][H:76])[H:77])([H:73])[H:74])(=[O:33])[O:34][H:69])[O:11][H:53])([H:54])[O:12][C@@:13]([C:14]([N:15]=[N+:16]=[N-:17])([H:55])[H:56])([H:57])[C@:18]([O:19][H:58])([H:59])[C@@:20]1([O:21][H:60])[H:61])[H:62])([H:63])([H:64])[H:65].[H][O:35][P:36](=[O:37])([O:38][H:70])[O:39][P:40](=[O:41])([O:42][H:71])[O:43][H:72]