SMIRKS
[H][N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:61])([H:62])[H:63])([H:59])[H:60])([C:4]([H:51])([H:52])[H:53])[H:58])([C:7](=[O:8])[O:9][H:56])[H:57])[H:54].[N:10]([C@@:11]([C:12]([C:13]([C:14](=[O:15])[O:16][H:64])([H:65])[H:66])([H:67])[H:68])([C:17](=[O:18])[O:19][H:69])[H:70])([H:71])[H:72].[N:20]([C:21]1:[N:22]:[C:23]([H:73]):[N:24]:[C:25]2:[C:26]:1:[N:27]:[C:28]([H:74]):[N:29]:2[C@:30]1([H:75])[O:31][C@@:32]([C:33]([O:34][P:35](=[O:36])([O:37][H:76])[O:38][P:39](=[O:40])([O:41][H:77])[O:42][P:43](=[O:44])([O:45][H:78])[O:46][H:79])([H:80])[H:81])([H:82])[C@:47]([O:48][H:83])([H:84])[C@:49]1([O:50][H:85])[H:86])([H:87])[H:88]>>[C:1]([C:2]([C@:3]([C:4]([H:51])([H:52])[H:53])([C@:5]([N:6]([C:14]([C:13]([C:12]([C@:11]([N:10]([H:71])[H:72])([C:17](=[O:18])[O:19][H:69])[H:70])([H:67])[H:68])([H:65])[H:66])=[O:15])[H:54])([C:7](=[O:8])[O:9][H:56])[H:57])[H:58])([H:59])[H:60])([H:61])([H:62])[H:63].[O:16]([P:39]([O:38][P:35]([O:34][C:33]([C@@:32]1([H:82])[O:31][C@:30]([N:29]2:[C:25]3:[N:24]:[C:23]([H:73]):[N:22]:[C:21]([N:20]([H:87])[H:88]):[C:26]:3:[N:27]:[C:28]:2[H:74])([H:75])[C@@:49]([O:50][H:85])([H:86])[C@@:47]1([O:48][H:83])[H:84])([H:80])[H:81])(=[O:36])[O:37][H:76])(=[O:40])[O:41][H:77])[H:64].[H][O:42][P:43](=[O:44])([O:45][H:78])[O:46][H:79]
Derived Operators
EVODEX.1-E288 - Reaction Operator E
[#7:11]-[#6@@:12](-[#6:13]-[#6:14]-[#6:15](=[#8:16])-[#8:17]-[H:52])(-[#6:18])-[H:58].[#7:1](-[#6:2])(-[H:70])-[H].([#8:39]-[#15:40](=[#8:41])(-[#8:42])-[#8:43]-[#15:44].[#8:49]-[#6@@:48](-[#6@@:33])(-[H:83])-[#6@:50](-[#6@:31])(-[#8:51])-[H:85])>>[#7:1](-[#6:2])(-[#6:15](-[#6:14]-[#6:13]-[#6@:12](-[#7:11])(-[#6:18])-[H:58])=[#8:16])-[H:70].([#8:17](-[#15:40](-[#8:39])(=[#8:41])-[#8:42])-[H:52].[#8:51]-[#6@:50](-[#6@:31])(-[H:85])-[#6@@:48](-[#6@@:33])(-[#8:49])-[H:83]).[#8:43](-[#15:44])-[H]
EVODEX.1-C1030 - Reaction Operator C
[H]-[#7:3]-[#6@:2].([#15:42]-[#8:45].[#6@:50]-[#6@:52]).([#6:17]-[#8:19].[#6@@:8])>>([#7:3](-[#6@@:2])-[#6:17].[#6@:8]).([#8:19]-[#15:42].[#6@@:52]-[#6@@:50]).[H]-[#8:45]
EVODEX.1-N1430 - Reaction Operator N
[H]-[#7:6](-[#6@@:5](-[#6@:3])(-[#6:7])-[H:57])-[H:54].[#7:10]-[#6@@:11](-[#6:12]-[#6:13]-[#6:14](=[#8:15])-[#8:16]-[H:64])(-[#6:17])-[H:70].([#8:38]-[#15:39](=[#8:40])(-[#8:41])-[#8:42]-[#15:43].[#8:48]-[#6@@:47](-[#6@@:32])(-[H:84])-[#6@:49](-[#6@:30])(-[#8:50])-[H:86])>>[#7:6](-[#6@@:5](-[#6@:3])(-[#6:7])-[H:57])(-[#6:14](-[#6:13]-[#6:12]-[#6@:11](-[#7:10])(-[#6:17])-[H:70])=[#8:15])-[H:54].([#8:16](-[#15:39](-[#8:38])(=[#8:40])-[#8:41])-[H:64].[#8:50]-[#6@:49](-[#6@:30])(-[H:86])-[#6@@:47](-[#6@@:32])(-[#8:48])-[H:84]).[H]-[#8:42]-[#15:43]
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-R7673
[H][N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:61])([H:62])[H:63])([H:59])[H:60])([C:4]([H:51])([H:52])[H:53])[H:58])([C:7](=[O:8])[O:9][H:56])[H:57])[H:54].[N:10]([C@@:11]([C:12]([C:13]([C:14](=[O:15])[O:16][H:64])([H:65])[H:66])([H:67])[H:68])([C:17](=[O:18])[O:19][H:69])[H:70])([H:71])[H:72].[N:20]([C:21]1:[N:22]:[C:23]([H:73]):[N:24]:[C:25]2:[C:26]:1:[N:27]:[C:28]([H:74]):[N:29]:2[C@:30]1([H:75])[O:31][C@@:32]([C:33]([O:34][P:35](=[O:36])([O:37][H:76])[O:38][P:39](=[O:40])([O:41][H:77])[O:42][P:43](=[O:44])([O:45][H:78])[O:46][H:79])([H:80])[H:81])([H:82])[C@:47]([O:48][H:83])([H:84])[C@:49]1([O:50][H:85])[H:86])([H:87])[H:88]>>[C:1]([C:2]([C@:3]([C:4]([H:51])([H:52])[H:53])([C@:5]([N:6]([C:14]([C:13]([C:12]([C@:11]([N:10]([H:71])[H:72])([C:17](=[O:18])[O:19][H:69])[H:70])([H:67])[H:68])([H:65])[H:66])=[O:15])[H:54])([C:7](=[O:8])[O:9][H:56])[H:57])[H:58])([H:59])[H:60])([H:61])([H:62])[H:63].[O:16]([P:39]([O:38][P:35]([O:34][C:33]([C@@:32]1([H:82])[O:31][C@:30]([N:29]2:[C:25]3:[N:24]:[C:23]([H:73]):[N:22]:[C:21]([N:20]([H:87])[H:88]):[C:26]:3:[N:27]:[C:28]:2[H:74])([H:75])[C@@:49]([O:50][H:85])([H:86])[C@@:47]1([O:48][H:83])[H:84])([H:80])[H:81])(=[O:36])[O:37][H:76])(=[O:40])[O:41][H:77])[H:64].[H][O:42][P:43](=[O:44])([O:45][H:78])[O:46][H:79]