SMIRKS
[H][N:11]([C@@:12]([C:13]([S:14][H:49])([H:50])[H:51])([C:15](=[O:16])[O:17][H:52])[H:53])[H:54].[N:18]([C:19]1:[N:20]:[C:21]([H:56]):[N:22]:[C:23]2:[C:24]:1:[N:25]:[C:26]([H:57]):[N:27]:2[C@:28]1([H:58])[O:29][C@@:30]([C:31]([O:32][P:33](=[O:34])([O:35][H:59])[O:36][P:37](=[O:38])([O:39][H:60])[O:40][P:41](=[O:42])([O:43][H:61])[O:44][H:62])([H:63])[H:64])([H:65])[C@:45]([O:46][H:66])([H:67])[C@:47]1([O:48][H:68])[H:69])([H:70])[H:71].[N:1]([C@@:2]([C:3]([C:4]([C:5](=[O:6])[O:7][H:72])([H:73])[H:74])([H:75])[H:76])([C:8](=[O:9])[O:10][H:77])[H:78])([H:79])[H:80]>>[N:1]([C@@:2]([C:3]([C:4]([C:5](=[O:6])[N:11]([C@@:12]([C:13]([S:14][H:49])([H:50])[H:51])([C:15](=[O:16])[O:17][H:52])[H:53])[H:54])([H:73])[H:74])([H:75])[H:76])([C:8](=[O:9])[O:10][H:77])[H:78])([H:79])[H:80].[H][O:40][P:41](=[O:42])([O:43][H:61])[O:44][H:62].[O:7]([P:37]([O:36][P:33]([O:32][C:31]([C@@:30]1([H:65])[O:29][C@:28]([N:27]2:[C:23]3:[N:22]:[C:21]([H:56]):[N:20]:[C:19]([N:18]([H:70])[H:71]):[C:24]:3:[N:25]:[C:26]:2[H:57])([H:58])[C@@:47]([O:48][H:68])([H:69])[C@@:45]1([O:46][H:66])[H:67])([H:63])[H:64])(=[O:34])[O:35][H:59])(=[O:38])[O:39][H:60])[H:72]
Derived Operators
EVODEX.1-E137 - Reaction Operator E
[#6:2]-[#6:3](=[#8:4])-[#8:5]-[H:51].([#8:38]-[#15:39](=[#8:40])(-[#8:41])-[#8:42]-[#15:43].[#8:48]-[#6@@:47](-[#6@@:32])(-[H:67])-[#6@:49](-[#6@:30])(-[#8:50])-[H:69]).[#7:6](-[#6@:7])(-[H:84])-[H]>>[#6:2]-[#6:3](=[#8:4])-[#7:6](-[#6@:7])-[H:84].[#8:42](-[#15:43])-[H].([#8:5](-[#15:39](-[#8:38])(=[#8:40])-[#8:41])-[H:51].[#8:50]-[#6@:49](-[#6@:30])(-[H:69])-[#6@@:47](-[#6@@:32])(-[#8:48])-[H:67])
EVODEX.1-C164 - Reaction Operator C
[#6:47]-[#8:49].[H]-[#7:57].([#15:80]-[#8:83].[#6@:88]-[#6@:90])>>[#6:47]-[#7:57].([#8:49]-[#15:80].[#6@@:90]-[#6@@:88]).[H]-[#8:83]
EVODEX.1-N79 - Reaction Operator N
[#6:47](-[#6@@:45])(=[#8:48])-[#8:49]-[H:119].[H]-[#7:57](-[#6@:56])-[H:131].([#8:79]-[#15:80](=[#8:81])(-[#8:82])-[#8:83]-[#15:84].[#8:89]-[#6@@:88](-[#6@@:73])(-[H:150])-[#6@:90](-[#6@:71])(-[#8:91])-[H:152])>>[#6:47](-[#6@@:45])(=[#8:48])-[#7:57](-[#6@:56])-[H:131].([#8:49](-[#15:80](-[#8:79])(=[#8:81])-[#8:82])-[H:119].[#8:91]-[#6@:90](-[#6@:71])(-[H:152])-[#6@@:88](-[#6@@:73])(-[#8:89])-[H:150]).[H]-[#8:83]-[#15:84]
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-R7657
[H][N:11]([C@@:12]([C:13]([S:14][H:49])([H:50])[H:51])([C:15](=[O:16])[O:17][H:52])[H:53])[H:54].[N:18]([C:19]1:[N:20]:[C:21]([H:56]):[N:22]:[C:23]2:[C:24]:1:[N:25]:[C:26]([H:57]):[N:27]:2[C@:28]1([H:58])[O:29][C@@:30]([C:31]([O:32][P:33](=[O:34])([O:35][H:59])[O:36][P:37](=[O:38])([O:39][H:60])[O:40][P:41](=[O:42])([O:43][H:61])[O:44][H:62])([H:63])[H:64])([H:65])[C@:45]([O:46][H:66])([H:67])[C@:47]1([O:48][H:68])[H:69])([H:70])[H:71].[N:1]([C@@:2]([C:3]([C:4]([C:5](=[O:6])[O:7][H:72])([H:73])[H:74])([H:75])[H:76])([C:8](=[O:9])[O:10][H:77])[H:78])([H:79])[H:80]>>[N:1]([C@@:2]([C:3]([C:4]([C:5](=[O:6])[N:11]([C@@:12]([C:13]([S:14][H:49])([H:50])[H:51])([C:15](=[O:16])[O:17][H:52])[H:53])[H:54])([H:73])[H:74])([H:75])[H:76])([C:8](=[O:9])[O:10][H:77])[H:78])([H:79])[H:80].[H][O:40][P:41](=[O:42])([O:43][H:61])[O:44][H:62].[O:7]([P:37]([O:36][P:33]([O:32][C:31]([C@@:30]1([H:65])[O:29][C@:28]([N:27]2:[C:23]3:[N:22]:[C:21]([H:56]):[N:20]:[C:19]([N:18]([H:70])[H:71]):[C:24]:3:[N:25]:[C:26]:2[H:57])([H:58])[C@@:47]([O:48][H:68])([H:69])[C@@:45]1([O:46][H:66])[H:67])([H:63])[H:64])(=[O:34])[O:35][H:59])(=[O:38])[O:39][H:60])[H:72]