SMIRKS
[C:1]([C:2]([C:3]([H:48])([H:49])[H:50])([C@@:4]([N:5]([H:51])[H:52])([C:6](=[O:7])[O:8][H:53])[H:54])[H:55])([H:56])([H:57])[H:58].[H][N:13]([C@:12]([C:10]([C:9]([H:67])([H:68])[H:69])([C:11]([H:59])([H:60])[H:61])[H:66])([C:14](=[O:15])[O:16][H:64])[H:65])[H:62].[N:17]([C:18]1:[N:19]:[C:20]([H:70]):[N:21]:[C:22]2:[C:23]:1:[N:24]:[C:25]([H:71]):[N:26]:2[C@:27]1([H:72])[O:28][C@@:29]([C:30]([O:31][P:32](=[O:33])([O:34][H:73])[O:35][P:36](=[O:37])([O:38][H:74])[O:39][P:40](=[O:41])([O:42][H:75])[O:43][H:76])([H:77])[H:78])([H:79])[C@:44]([O:45][H:80])([H:81])[C@:46]1([O:47][H:82])[H:83])([H:84])[H:85]>>[C:1]([C:2]([C:3]([H:48])([H:49])[H:50])([C@@:4]([N:5]([H:51])[H:52])([C:6](=[O:7])[N:13]([C@:12]([C:10]([C:9]([H:67])([H:68])[H:69])([C:11]([H:59])([H:60])[H:61])[H:66])([C:14](=[O:15])[O:16][H:64])[H:65])[H:62])[H:54])[H:55])([H:56])([H:57])[H:58].[H][O:39][P:40](=[O:41])([O:42][H:75])[O:43][H:76].[O:8]([P:36]([O:35][P:32]([O:31][C:30]([C@@:29]1([H:79])[O:28][C@:27]([N:26]2:[C:22]3:[N:21]:[C:20]([H:70]):[N:19]:[C:18]([N:17]([H:84])[H:85]):[C:23]:3:[N:24]:[C:25]:2[H:71])([H:72])[C@@:46]([O:47][H:82])([H:83])[C@@:44]1([O:45][H:80])[H:81])([H:77])[H:78])(=[O:33])[O:34][H:73])(=[O:37])[O:38][H:74])[H:53]
Derived Operators
EVODEX.1-E138 - Reaction Operator E
[#6:47](-[#6@@:45])(=[#8:48])-[#8:49]-[H:119].[#7:57](-[#6@:56](-[#6@:51])(-[#6:58])-[H:134])(-[H:131])-[H].([#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](-[#6@:51])(-[#6:58])-[H:134])-[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]).[#8:83](-[#15:84])-[H]
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-R7729
[C:1]([C:2]([C:3]([H:48])([H:49])[H:50])([C@@:4]([N:5]([H:51])[H:52])([C:6](=[O:7])[O:8][H:53])[H:54])[H:55])([H:56])([H:57])[H:58].[H][N:13]([C@:12]([C:10]([C:9]([H:67])([H:68])[H:69])([C:11]([H:59])([H:60])[H:61])[H:66])([C:14](=[O:15])[O:16][H:64])[H:65])[H:62].[N:17]([C:18]1:[N:19]:[C:20]([H:70]):[N:21]:[C:22]2:[C:23]:1:[N:24]:[C:25]([H:71]):[N:26]:2[C@:27]1([H:72])[O:28][C@@:29]([C:30]([O:31][P:32](=[O:33])([O:34][H:73])[O:35][P:36](=[O:37])([O:38][H:74])[O:39][P:40](=[O:41])([O:42][H:75])[O:43][H:76])([H:77])[H:78])([H:79])[C@:44]([O:45][H:80])([H:81])[C@:46]1([O:47][H:82])[H:83])([H:84])[H:85]>>[C:1]([C:2]([C:3]([H:48])([H:49])[H:50])([C@@:4]([N:5]([H:51])[H:52])([C:6](=[O:7])[N:13]([C@:12]([C:10]([C:9]([H:67])([H:68])[H:69])([C:11]([H:59])([H:60])[H:61])[H:66])([C:14](=[O:15])[O:16][H:64])[H:65])[H:62])[H:54])[H:55])([H:56])([H:57])[H:58].[H][O:39][P:40](=[O:41])([O:42][H:75])[O:43][H:76].[O:8]([P:36]([O:35][P:32]([O:31][C:30]([C@@:29]1([H:79])[O:28][C@:27]([N:26]2:[C:22]3:[N:21]:[C:20]([H:70]):[N:19]:[C:18]([N:17]([H:84])[H:85]):[C:23]:3:[N:24]:[C:25]:2[H:71])([H:72])[C@@:46]([O:47][H:82])([H:83])[C@@:44]1([O:45][H:80])[H:81])([H:77])[H:78])(=[O:33])[O:34][H:73])(=[O:37])[O:38][H:74])[H:53]