SMIRKS
[N:1]([C:2]1:[N:3]:[C:4]([H:53]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:54]):[N:10]:2[C@:11]1([H:55])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:56])[O:19][P:20](=[O:21])([O:22][H:57])[O:23][P:24](=[O:25])([O:26][H:58])[O:27][H:59])([H:60])[H:61])([H:62])[C@:28]([O:29][H:63])([H:64])[C@:30]1([O:31][H:65])[H:66])([H:67])[H:68].[H][O:47][P:45]([O:44][C:43]([C@:42]1([H:79])[C@:40]([O:41][H:73])([H:74])[C:39]([H:71])([H:72])[C@@:38]([N:37]2:[C:35](=[O:36]):[N:34]([H:69]):[C:33](=[O:32]):[C:51]([Br:52]):[C:50]:2[H:80])([H:70])[O:49]1)([H:77])[H:78])(=[O:46])[O:48][H:76]>>[H][O:23][P:20]([O:19][P:16]([O:15][C:14]([C@@:13]1([H:62])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:53]):[N:3]:[C:2]([N:1]([H:67])[H:68]):[C:7]:3:[N:8]:[C:9]:2[H:54])([H:55])[C@@:30]([O:31][H:65])([H:66])[C@@:28]1([O:29][H:63])[H:64])([H:60])[H:61])(=[O:17])[O:18][H:56])(=[O:21])[O:22][H:57].[P:24](=[O:25])([O:26][H:58])([O:27][H:59])[O:47][P:45]([O:44][C:43]([C@:42]1([H:79])[C@:40]([O:41][H:73])([H:74])[C:39]([H:71])([H:72])[C@@:38]([N:37]2:[C:35](=[O:36]):[N:34]([H:69]):[C:33](=[O:32]):[C:51]([Br:52]):[C:50]:2[H:80])([H:70])[O:49]1)([H:77])[H:78])(=[O:46])[O:48][H:76]
Derived Operators
EVODEX.1-E76 - Reaction Operator E
[#8:16]-[#15:17](=[#8:18])(-[#8:19])-[#8:20]-[#15:21].([#6:42]-[#6@@:43](-[#8:44])(-[H:85])-[#6@:45].[#15:56]-[#8:58]-[H])>>([#8:16]-[#15:17](=[#8:18])(-[#8:19])-[#8:58]-[#15:56].[#8:44]-[#6@@:43](-[#6@:45])(-[H:85])-[#6:42]).[#8:20](-[#15:21])-[H]
EVODEX.1-C22 - Reaction Operator C
([#8:10]-[#15:11].[#6@:15]-[#6@:17]).[H]-[#8:35]>>([H]-[#8:10].[#6@@:17]-[#6@@:15]).[#15:11]-[#8:35]
EVODEX.1-N100 - Reaction Operator N
([#15:18]-[#8:21]-[#15:22](=[#8:23])(-[#8:24])-[#8:25].[#8:27]-[#6@@:26](-[#6@@:11])(-[H:65])-[#6@:28](-[#6@:9])(-[#8:29])-[H:67]).[H]-[#8:52]-[#15:50]>>([H]-[#8:21]-[#15:18].[#8:29]-[#6@:28](-[#6@:9])(-[H:67])-[#6@@:26](-[#6@@:11])(-[#8:27])-[H:65]).[#15:22](=[#8:23])(-[#8:24])(-[#8:25])-[#8:52]-[#15:50]
EVODEX.1-Em47 - Reaction Operator Em
[H]-[#8:21]-[#15:19].[#8:44]-[#15:45](=[#8:46])(-[#8:47])-[#8:48]-[#15:49]>>[#15:19]-[#8:21]-[#15:45](-[#8:44])(=[#8:46])-[#8:47].[H]-[#8:48]-[#15:49]
EVODEX.1-Nm53 - Reaction Operator Nm
[H]-[#8:21]-[#15:19].[#8:44]-[#15:45](=[#8:46])(-[#8:47])-[#8:48]-[#15:49]>>[#15:19]-[#8:21]-[#15:45](-[#8:44])(=[#8:46])-[#8:47].[H]-[#8:48]-[#15:49]
Source Full Reactions
EVODEX.1-R4234
[N:1]([C:2]1:[N:3]:[C:4]([H:53]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:54]):[N:10]:2[C@:11]1([H:55])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:56])[O:19][P:20](=[O:21])([O:22][H:57])[O:23][P:24](=[O:25])([O:26][H:58])[O:27][H:59])([H:60])[H:61])([H:62])[C@:28]([O:29][H:63])([H:64])[C@:30]1([O:31][H:65])[H:66])([H:67])[H:68].[H][O:47][P:45]([O:44][C:43]([C@:42]1([H:79])[C@:40]([O:41][H:73])([H:74])[C:39]([H:71])([H:72])[C@@:38]([N:37]2:[C:35](=[O:36]):[N:34]([H:69]):[C:33](=[O:32]):[C:51]([Br:52]):[C:50]:2[H:80])([H:70])[O:49]1)([H:77])[H:78])(=[O:46])[O:48][H:76]>>[H][O:23][P:20]([O:19][P:16]([O:15][C:14]([C@@:13]1([H:62])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:53]):[N:3]:[C:2]([N:1]([H:67])[H:68]):[C:7]:3:[N:8]:[C:9]:2[H:54])([H:55])[C@@:30]([O:31][H:65])([H:66])[C@@:28]1([O:29][H:63])[H:64])([H:60])[H:61])(=[O:17])[O:18][H:56])(=[O:21])[O:22][H:57].[P:24](=[O:25])([O:26][H:58])([O:27][H:59])[O:47][P:45]([O:44][C:43]([C@:42]1([H:79])[C@:40]([O:41][H:73])([H:74])[C:39]([H:71])([H:72])[C@@:38]([N:37]2:[C:35](=[O:36]):[N:34]([H:69]):[C:33](=[O:32]):[C:51]([Br:52]):[C:50]:2[H:80])([H:70])[O:49]1)([H:77])[H:78])(=[O:46])[O:48][H:76]