SMIRKS
[H][N:5]([C:4]([C:3]([C:2]([C:1]([H:55])([H:56])[H:57])([H:53])[H:54])([H:51])[H:52])([H:49])[H:50])[H:47].[N:16]([C:17]1:[N:18]:[C:19]([H:58]):[N:20]:[C:21]2:[C:22]:1:[N:23]:[C:24]([H:59]):[N:25]:2[C@:26]1([H:60])[O:27][C@@:28]([C:29]([O:30][P:31](=[O:32])([O:33][H:61])[O:34][P:35](=[O:36])([O:37][H:62])[O:38][P:39](=[O:40])([O:41][H:63])[O:42][H:64])([H:65])[H:66])([H:67])[C@:43]([O:44][H:68])([H:69])[C@:45]1([O:46][H:70])[H:71])([H:72])[H:73].[N:6]([C@@:7]([C:8]([C:9]([C:10](=[O:11])[O:12][H:74])([H:75])[H:76])([H:77])[H:78])([C:13](=[O:14])[O:15][H:79])[H:80])([H:81])[H:82]>>[C:1]([C:2]([C:3]([C:4]([N:5]([C:10]([C:9]([C:8]([C@:7]([N:6]([H:81])[H:82])([C:13](=[O:14])[O:15][H:79])[H:80])([H:77])[H:78])([H:75])[H:76])=[O:11])[H:47])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])([H:56])[H:57].[O:12]([P:35]([O:34][P:31]([O:30][C:29]([C@@:28]1([H:67])[O:27][C@:26]([N:25]2:[C:21]3:[N:20]:[C:19]([H:58]):[N:18]:[C:17]([N:16]([H:72])[H:73]):[C:22]:3:[N:23]:[C:24]:2[H:59])([H:60])[C@@:45]([O:46][H:70])([H:71])[C@@:43]1([O:44][H:68])[H:69])([H:65])[H:66])(=[O:32])[O:33][H:61])(=[O:36])[O:37][H:62])[H:74].[H][O:38][P:39](=[O:40])([O:41][H:63])[O:42][H:64]
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-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-N1284 - Reaction Operator N
[H]-[#7:2](-[#6:1])-[H:44].([#8:31]-[#15:32](=[#8:33])(-[#8:34])-[#8:35]-[#15:36].[#8:41]-[#6@@:40](-[#6@@:25])(-[H:60])-[#6@:42](-[#6@:23])(-[#8:43])-[H:62]).[#7:3]-[#6@@:4](-[#6:5]-[#6:6]-[#6:7](=[#8:8])-[#8:9]-[H:65])(-[#6:10])-[H:71]>>[#6:1]-[#7:2](-[#6:7](-[#6:6]-[#6:5]-[#6@:4](-[#7:3])(-[#6:10])-[H:71])=[#8:8])-[H:44].[H]-[#8:35]-[#15:36].([#8:9](-[#15:32](-[#8:31])(=[#8:33])-[#8:34])-[H:65].[#8:43]-[#6@:42](-[#6@:23])(-[H:62])-[#6@@:40](-[#6@@:25])(-[#8:41])-[H:60])
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-R7664
[H][N:5]([C:4]([C:3]([C:2]([C:1]([H:55])([H:56])[H:57])([H:53])[H:54])([H:51])[H:52])([H:49])[H:50])[H:47].[N:16]([C:17]1:[N:18]:[C:19]([H:58]):[N:20]:[C:21]2:[C:22]:1:[N:23]:[C:24]([H:59]):[N:25]:2[C@:26]1([H:60])[O:27][C@@:28]([C:29]([O:30][P:31](=[O:32])([O:33][H:61])[O:34][P:35](=[O:36])([O:37][H:62])[O:38][P:39](=[O:40])([O:41][H:63])[O:42][H:64])([H:65])[H:66])([H:67])[C@:43]([O:44][H:68])([H:69])[C@:45]1([O:46][H:70])[H:71])([H:72])[H:73].[N:6]([C@@:7]([C:8]([C:9]([C:10](=[O:11])[O:12][H:74])([H:75])[H:76])([H:77])[H:78])([C:13](=[O:14])[O:15][H:79])[H:80])([H:81])[H:82]>>[C:1]([C:2]([C:3]([C:4]([N:5]([C:10]([C:9]([C:8]([C@:7]([N:6]([H:81])[H:82])([C:13](=[O:14])[O:15][H:79])[H:80])([H:77])[H:78])([H:75])[H:76])=[O:11])[H:47])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])([H:56])[H:57].[O:12]([P:35]([O:34][P:31]([O:30][C:29]([C@@:28]1([H:67])[O:27][C@:26]([N:25]2:[C:21]3:[N:20]:[C:19]([H:58]):[N:18]:[C:17]([N:16]([H:72])[H:73]):[C:22]:3:[N:23]:[C:24]:2[H:59])([H:60])[C@@:45]([O:46][H:70])([H:71])[C@@:43]1([O:44][H:68])[H:69])([H:65])[H:66])(=[O:32])[O:33][H:61])(=[O:36])[O:37][H:62])[H:74].[H][O:38][P:39](=[O:40])([O:41][H:63])[O:42][H:64]