SMIRKS
[H][N:4]([C@:3]([C:2]([C:1]([H:51])([H:52])[H:53])([H:49])[H:50])([C:5](=[O:6])[O:7][H:47])[H:48])[H:45].[C:8]([C@@:9]([N:10]([H:54])[H:55])([C:11](=[O:12])[O:13][H:56])[H:57])([H:58])([H:59])[H:60].[N:14]([C:15]1:[N:16]:[C:17]([H:61]):[N:18]:[C:19]2:[C:20]:1:[N:21]:[C:22]([H:62]):[N:23]:2[C@:24]1([H:63])[O:25][C@@:26]([C:27]([O:28][P:29](=[O:30])([O:31][H:64])[O:32][P:33](=[O:34])([O:35][H:65])[O:36][P:37](=[O:38])([O:39][H:66])[O:40][H:67])([H:68])[H:69])([H:70])[C@:41]([O:42][H:71])([H:72])[C@:43]1([O:44][H:73])[H:74])([H:75])[H:76]>>[C:1]([C:2]([C:3]([N:4]([C:11]([C@@:9]([C:8]([H:58])([H:59])[H:60])([N:10]([H:54])[H:55])[H:57])=[O:12])[H:45])([C:5](=[O:6])[O:7][H:47])[H:48])([H:49])[H:50])([H:51])([H:52])[H:53].[O:13]([P:33]([O:32][P:29]([O:28][C:27]([C@@:26]1([H:70])[O:25][C@:24]([N:23]2:[C:19]3:[N:18]:[C:17]([H:61]):[N:16]:[C:15]([N:14]([H:75])[H:76]):[C:20]:3:[N:21]:[C:22]:2[H:62])([H:63])[C@@:43]([O:44][H:73])([H:74])[C@@:41]1([O:42][H:71])[H:72])([H:68])[H:69])(=[O:30])[O:31][H:64])(=[O:34])[O:35][H:65])[H:56].[H][O:36][P:37](=[O:38])([O:39][H:66])[O:40][H:67]
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-C1478 - Reaction Operator C
[H]-[#7:4]-[#6@:3].[#6:11]-[#8:13].([#15:33]-[#8:36].[#6@:41]-[#6@:43])>>[#6:3]-[#7:4]-[#6:11].([#8:13]-[#15:33].[#6@@:43]-[#6@@:41]).[H]-[#8:36]
EVODEX.1-N1895 - Reaction Operator N
[H]-[#7:4](-[#6@:3](-[#6:2])(-[#6:5])-[H:48])-[H:45].[#6:11](-[#6@@:9])(=[#8:12])-[#8:13]-[H:56].([#8:32]-[#15:33](=[#8:34])(-[#8:35])-[#8:36]-[#15:37].[#8:42]-[#6@@:41](-[#6@@:26])(-[H:72])-[#6@:43](-[#6@:24])(-[#8:44])-[H:74])>>[#6:2]-[#6:3](-[#7:4](-[#6:11](-[#6@@:9])=[#8:12])-[H:45])(-[#6:5])-[H:48].([#8:13](-[#15:33](-[#8:32])(=[#8:34])-[#8:35])-[H:56].[#8:44]-[#6@:43](-[#6@:24])(-[H:74])-[#6@@:41](-[#6@@:26])(-[#8:42])-[H:72]).[H]-[#8:36]-[#15:37]
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-R7721
[H][N:4]([C@:3]([C:2]([C:1]([H:51])([H:52])[H:53])([H:49])[H:50])([C:5](=[O:6])[O:7][H:47])[H:48])[H:45].[C:8]([C@@:9]([N:10]([H:54])[H:55])([C:11](=[O:12])[O:13][H:56])[H:57])([H:58])([H:59])[H:60].[N:14]([C:15]1:[N:16]:[C:17]([H:61]):[N:18]:[C:19]2:[C:20]:1:[N:21]:[C:22]([H:62]):[N:23]:2[C@:24]1([H:63])[O:25][C@@:26]([C:27]([O:28][P:29](=[O:30])([O:31][H:64])[O:32][P:33](=[O:34])([O:35][H:65])[O:36][P:37](=[O:38])([O:39][H:66])[O:40][H:67])([H:68])[H:69])([H:70])[C@:41]([O:42][H:71])([H:72])[C@:43]1([O:44][H:73])[H:74])([H:75])[H:76]>>[C:1]([C:2]([C:3]([N:4]([C:11]([C@@:9]([C:8]([H:58])([H:59])[H:60])([N:10]([H:54])[H:55])[H:57])=[O:12])[H:45])([C:5](=[O:6])[O:7][H:47])[H:48])([H:49])[H:50])([H:51])([H:52])[H:53].[O:13]([P:33]([O:32][P:29]([O:28][C:27]([C@@:26]1([H:70])[O:25][C@:24]([N:23]2:[C:19]3:[N:18]:[C:17]([H:61]):[N:16]:[C:15]([N:14]([H:75])[H:76]):[C:20]:3:[N:21]:[C:22]:2[H:62])([H:63])[C@@:43]([O:44][H:73])([H:74])[C@@:41]1([O:42][H:71])[H:72])([H:68])[H:69])(=[O:30])[O:31][H:64])(=[O:34])[O:35][H:65])[H:56].[H][O:36][P:37](=[O:38])([O:39][H:66])[O:40][H:67]