SMIRKS
[H][N:1]([C:2]([C:3](=[O:4])[O:5][H:53])([H:54])[H:55])[H:56].[N:6]([C@@:7]([C:8]([C:9]([C:10](=[O:11])[N:12]([C@@:13]([C:14]([S:15][H:58])([H:59])[H:60])([C:16](=[O:17])[O:18][H:61])[H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([C:19](=[O:20])[O:21][H:68])[H:69])([H:70])[H:71].[O:22]=[C:23]1:[N:24]([H:72]):[C:25]([H:73]):[N:26]:[C:27]2:[C:28]:1:[N:29]:[C:30]([H:74]):[N:31]:2[C@:32]1([H:75])[O:33][C@@:34]([C:35]([O:36][P:37](=[O:38])([O:39][H:76])[O:40][P:41](=[O:42])([O:43][H:77])[O:44][P:45](=[O:46])([O:47][H:78])[O:48][H:79])([H:80])[H:81])([H:82])[C@:49]([O:50][H:83])([H:84])[C@:51]1([O:52][H:85])[H:86]>>[N:1]([C:2]([C:3](=[O:4])[O:5][H:53])([H:54])[H:55])([C:16]([C@@:13]([N:12]([C:10]([C:9]([C:8]([C@:7]([N:6]([H:70])[H:71])([C:19](=[O:20])[O:21][H:68])[H:69])([H:66])[H:67])([H:64])[H:65])=[O:11])[H:63])([C:14]([S:15][H:58])([H:59])[H:60])[H:62])=[O:17])[H:56].[O:18]([P:41]([O:40][P:37]([O:36][C:35]([C@@:34]1([H:82])[O:33][C@:32]([N:31]2:[C:27]3:[N:26]:[C:25]([H:73]):[N:24]([H:72]):[C:23](=[O:22]):[C:28]:3:[N:29]:[C:30]:2[H:74])([H:75])[C@@:51]([O:52][H:85])([H:86])[C@@:49]1([O:50][H:83])[H:84])([H:80])[H:81])(=[O:38])[O:39][H:76])(=[O:42])[O:43][H:77])[H:61].[H][O:44][P:45](=[O:46])([O:47][H:78])[O:48][H:79]
Derived Operators
EVODEX.1-E81 - Reaction Operator E
([#8:59]-[#15:60](=[#8:61])(-[#8:62])-[#8:63]-[#15:64].[#8:69]-[#6@@:68](-[#6@@:53])(-[H:83])-[#6@:70](-[#6@:51])(-[#8:71])-[H:85]).([#6:19]-[#6@:20](-[#7:21])(-[#6:38])-[H:103].[#6:31]-[#6:32](=[#8:33])-[#8:34]-[H:92]).[#7:9](-[#6@:8])(-[H:114])-[H]>>([#7:9](-[#6@:8])(-[#6:32](-[#6:31])=[#8:33])-[H:114].[#7:21]-[#6@@:20](-[#6:19])(-[#6:38])-[H:103]).([#8:34](-[#15:60](-[#8:59])(=[#8:61])-[#8:62])-[H:92].[#8:71]-[#6@:70](-[#6@:51])(-[H:85])-[#6@@:68](-[#6@@:53])(-[#8:69])-[H:83]).[#8:63](-[#15:64])-[H]
EVODEX.1-C180 - Reaction Operator C
[H]-[#7:1].([#6:16]-[#8:18].[#6@@:7]).([#15:41]-[#8:44].[#6@:49]-[#6@:51])>>([#7:1]-[#6:16].[#6@:7]).([#8:18]-[#15:41].[#6@@:51]-[#6@@:49]).[H]-[#8:44]
EVODEX.1-N1169 - Reaction Operator N
[H]-[#7:1](-[#6:2])-[H:56].([#7:6]-[#6@@:7](-[#6:8])(-[#6:19])-[H:69].[#6:16](-[#6@@:13])(=[#8:17])-[#8:18]-[H:61]).([#8:40]-[#15:41](=[#8:42])(-[#8:43])-[#8:44]-[#15:45].[#8:50]-[#6@@:49](-[#6@@:34])(-[H:84])-[#6@:51](-[#6@:32])(-[#8:52])-[H:86])>>([#7:1](-[#6:2])(-[#6:16](-[#6@@:13])=[#8:17])-[H:56].[#6:8]-[#6@:7](-[#7:6])(-[#6:19])-[H:69]).([#8:18](-[#15:41](-[#8:40])(=[#8:42])-[#8:43])-[H:61].[#8:52]-[#6@:51](-[#6@:32])(-[H:86])-[#6@@:49](-[#6@@:34])(-[#8:50])-[H:84]).[H]-[#8:44]-[#15:45]
EVODEX.1-Em45 - Reaction Operator Em
[#6:45]-[#6:47](=[#8:48])-[#8:49].[H]-[#7:57]-[#6:56].[#8:79]-[#15:80](=[#8:81])(-[#8:82])-[#8:83]-[#15:84]>>[#6:45]-[#6:47](=[#8:48])-[#7:57]-[#6:56].[#8:49]-[#15:80](-[#8:79])(=[#8:81])-[#8:82].[H]-[#8:83]-[#15:84]
EVODEX.1-Cm71 - Reaction Operator Cm
[#6:47]-[#8:49].[H]-[#7:57].[#15:80]-[#8:83]>>[#6:47]-[#7:57].[#8:49]-[#15:80].[H]-[#8:83]
EVODEX.1-Nm50 - Reaction Operator Nm
[#6:45]-[#6:47](=[#8:48])-[#8:49].[H]-[#7:57]-[#6:56].[#8:79]-[#15:80](=[#8:81])(-[#8:82])-[#8:83]-[#15:84]>>[#6:45]-[#6:47](=[#8:48])-[#7:57]-[#6:56].[#8:49]-[#15:80](-[#8:79])(=[#8:81])-[#8:82].[H]-[#8:83]-[#15:84]
Source Full Reactions
EVODEX.1-R7703
[H][N:1]([C:2]([C:3](=[O:4])[O:5][H:53])([H:54])[H:55])[H:56].[N:6]([C@@:7]([C:8]([C:9]([C:10](=[O:11])[N:12]([C@@:13]([C:14]([S:15][H:58])([H:59])[H:60])([C:16](=[O:17])[O:18][H:61])[H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([C:19](=[O:20])[O:21][H:68])[H:69])([H:70])[H:71].[O:22]=[C:23]1:[N:24]([H:72]):[C:25]([H:73]):[N:26]:[C:27]2:[C:28]:1:[N:29]:[C:30]([H:74]):[N:31]:2[C@:32]1([H:75])[O:33][C@@:34]([C:35]([O:36][P:37](=[O:38])([O:39][H:76])[O:40][P:41](=[O:42])([O:43][H:77])[O:44][P:45](=[O:46])([O:47][H:78])[O:48][H:79])([H:80])[H:81])([H:82])[C@:49]([O:50][H:83])([H:84])[C@:51]1([O:52][H:85])[H:86]>>[N:1]([C:2]([C:3](=[O:4])[O:5][H:53])([H:54])[H:55])([C:16]([C@@:13]([N:12]([C:10]([C:9]([C:8]([C@:7]([N:6]([H:70])[H:71])([C:19](=[O:20])[O:21][H:68])[H:69])([H:66])[H:67])([H:64])[H:65])=[O:11])[H:63])([C:14]([S:15][H:58])([H:59])[H:60])[H:62])=[O:17])[H:56].[O:18]([P:41]([O:40][P:37]([O:36][C:35]([C@@:34]1([H:82])[O:33][C@:32]([N:31]2:[C:27]3:[N:26]:[C:25]([H:73]):[N:24]([H:72]):[C:23](=[O:22]):[C:28]:3:[N:29]:[C:30]:2[H:74])([H:75])[C@@:51]([O:52][H:85])([H:86])[C@@:49]1([O:50][H:83])[H:84])([H:80])[H:81])(=[O:38])[O:39][H:76])(=[O:42])[O:43][H:77])[H:61].[H][O:44][P:45](=[O:46])([O:47][H:78])[O:48][H:79]