SMIRKS
[H][N:2]([C:1]([H:46])([H:47])[H:48])[H:44].[N:13]([C:14]1:[N:15]:[C:16]([H:49]):[N:17]:[C:18]2:[C:19]:1:[N:20]:[C:21]([H:50]):[N:22]:2[C@:23]1([H:51])[O:24][C@@:25]([C:26]([O:27][P:28](=[O:29])([O:30][H:52])[O:31][P:32](=[O:33])([O:34][H:53])[O:35][P:36](=[O:37])([O:38][H:54])[O:39][H:55])([H:56])[H:57])([H:58])[C@:40]([O:41][H:59])([H:60])[C@:42]1([O:43][H:61])[H:62])([H:63])[H:64].[N:3]([C@@:4]([C:5]([C:6]([C:7](=[O:8])[O:9][H:65])([H:66])[H:67])([H:68])[H:69])([C:10](=[O:11])[O:12][H:70])[H:71])([H:72])[H:73]>>[C:1]([N:2]([C:7]([C:6]([C:5]([C@:4]([N:3]([H:72])[H:73])([C:10](=[O:11])[O:12][H:70])[H:71])([H:68])[H:69])([H:66])[H:67])=[O:8])[H:44])([H:46])([H:47])[H:48].[H][O:35][P:36](=[O:37])([O:38][H:54])[O:39][H:55].[O:9]([P:32]([O:31][P:28]([O:27][C:26]([C@@:25]1([H:58])[O:24][C@:23]([N:22]2:[C:18]3:[N:17]:[C:16]([H:49]):[N:15]:[C:14]([N:13]([H:63])[H:64]):[C:19]:3:[N:20]:[C:21]:2[H:50])([H:51])[C@@:42]([O:43][H:61])([H:62])[C@@:40]1([O:41][H:59])[H:60])([H:56])[H:57])(=[O:29])[O:30][H:52])(=[O:33])[O:34][H:53])[H:65]
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-R7665
[H][N:2]([C:1]([H:46])([H:47])[H:48])[H:44].[N:13]([C:14]1:[N:15]:[C:16]([H:49]):[N:17]:[C:18]2:[C:19]:1:[N:20]:[C:21]([H:50]):[N:22]:2[C@:23]1([H:51])[O:24][C@@:25]([C:26]([O:27][P:28](=[O:29])([O:30][H:52])[O:31][P:32](=[O:33])([O:34][H:53])[O:35][P:36](=[O:37])([O:38][H:54])[O:39][H:55])([H:56])[H:57])([H:58])[C@:40]([O:41][H:59])([H:60])[C@:42]1([O:43][H:61])[H:62])([H:63])[H:64].[N:3]([C@@:4]([C:5]([C:6]([C:7](=[O:8])[O:9][H:65])([H:66])[H:67])([H:68])[H:69])([C:10](=[O:11])[O:12][H:70])[H:71])([H:72])[H:73]>>[C:1]([N:2]([C:7]([C:6]([C:5]([C@:4]([N:3]([H:72])[H:73])([C:10](=[O:11])[O:12][H:70])[H:71])([H:68])[H:69])([H:66])[H:67])=[O:8])[H:44])([H:46])([H:47])[H:48].[H][O:35][P:36](=[O:37])([O:38][H:54])[O:39][H:55].[O:9]([P:32]([O:31][P:28]([O:27][C:26]([C@@:25]1([H:58])[O:24][C@:23]([N:22]2:[C:18]3:[N:17]:[C:16]([H:49]):[N:15]:[C:14]([N:13]([H:63])[H:64]):[C:19]:3:[N:20]:[C:21]:2[H:50])([H:51])[C@@:42]([O:43][H:61])([H:62])[C@@:40]1([O:41][H:59])[H:60])([H:56])[H:57])(=[O:29])[O:30][H:52])(=[O:33])[O:34][H:53])[H:65]