SMIRKS
[H][N:1]([C:2]1:[C:3]([H:46]):[C:4]([H:47]):[C:5]([Br:6]):[C:7]([H:48]):[C:8]:1[Br:9])[H:49].[O:10]=[C:11]1:[C:12]([H:51]):[C:13]([H:52]):[N:14]([C@:15]2([H:53])[O:16][C@@:17]([C:18]([O:19][P:20](=[O:21])([O:22][H:54])[O:23][P:24](=[O:25])([O:26][H:55])[O:27][C@@:28]3([H:56])[O:29][C@@:30]([C:31]([O:32][H:57])([H:58])[H:59])([H:60])[C@:33]([O:34][H:61])([H:62])[C@@:35]([O:36][H:63])([H:64])[C@:37]3([O:38][H:65])[H:66])([H:67])[H:68])([H:69])[C@:39]([O:40][H:70])([H:71])[C@:41]2([O:42][H:72])[H:73]):[C:43](=[O:44]):[N:45]:1[H:74]>>[N:1]([C:2]1:[C:3]([H:46]):[C:4]([H:47]):[C:5]([Br:6]):[C:7]([H:48]):[C:8]:1[Br:9])([C:28]1([H:56])[O:29][C@@:30]([C:31]([O:32][H:57])([H:58])[H:59])([H:60])[C@:33]([O:34][H:61])([H:62])[C@@:35]([O:36][H:63])([H:64])[C@:37]1([O:38][H:65])[H:66])[H:49].[H][O:27][P:24]([O:23][P:20]([O:19][C:18]([C@@:17]1([H:69])[O:16][C@:15]([N:14]2:[C:13]([H:52]):[C:12]([H:51]):[C:11](=[O:10]):[N:45]([H:74]):[C:43]:2=[O:44])([H:53])[C@@:41]([O:42][H:72])([H:73])[C@@:39]1([O:40][H:70])[H:71])([H:67])[H:68])(=[O:21])[O:22][H:54])(=[O:25])[O:26][H:55]
Derived Operators
EVODEX.1-E231 - Reaction Operator E
[#6:12]-[#7:13](-[H:51])-[H].[#15:29]-[#8:32]-[#6@@:33](-[H:81])(-[#8:34])-[#6@:42]>>[#6:12]-[#7:13](-[#6:33](-[H:81])(-[#8:34])-[#6@:42])-[H:51].[#15:29]-[#8:32]-[H]
EVODEX.1-C388 - Reaction Operator C
[H]-[#7:13].([#8:32]-[#6@@:33].[#6@:44]-[#6@:46])>>[#7:13]-[#6:33].([H]-[#8:32].[#6@@:46]-[#6@@:44])
EVODEX.1-N464 - Reaction Operator N
[H]-[#7:13](-[#6:12])-[H:51].([#15:29]-[#8:32]-[#6@@:33](-[H:81])(-[#8:34])-[#6@:42].[#8:45]-[#6@@:44](-[#6@@:22])(-[H:96])-[#6@:46](-[#6@:20])(-[#8:47])-[H:98])>>[#6:12]-[#7:13](-[#6:33](-[H:81])(-[#8:34])-[#6@:42])-[H:51].([H]-[#8:32]-[#15:29].[#8:47]-[#6@:46](-[#6@:20])(-[H:98])-[#6@@:44](-[#6@@:22])(-[#8:45])-[H:96])
EVODEX.1-Em502 - Reaction Operator Em
[H]-[#7:13]-[#6:12].[#15:29]-[#8:32]-[#6:33](-[#8:34])-[#6:42]>>[#6:12]-[#7:13]-[#6:33](-[#8:34])-[#6:42].[H]-[#8:32]-[#15:29]
EVODEX.1-Nm453 - Reaction Operator Nm
[H]-[#7:13]-[#6:12].[#15:29]-[#8:32]-[#6:33](-[#8:34])-[#6:42]>>[#6:12]-[#7:13]-[#6:33](-[#8:34])-[#6:42].[H]-[#8:32]-[#15:29]
Source Full Reactions
EVODEX.1-R3225
[H][N:1]([C:2]1:[C:3]([H:46]):[C:4]([H:47]):[C:5]([Br:6]):[C:7]([H:48]):[C:8]:1[Br:9])[H:49].[O:10]=[C:11]1:[C:12]([H:51]):[C:13]([H:52]):[N:14]([C@:15]2([H:53])[O:16][C@@:17]([C:18]([O:19][P:20](=[O:21])([O:22][H:54])[O:23][P:24](=[O:25])([O:26][H:55])[O:27][C@@:28]3([H:56])[O:29][C@@:30]([C:31]([O:32][H:57])([H:58])[H:59])([H:60])[C@:33]([O:34][H:61])([H:62])[C@@:35]([O:36][H:63])([H:64])[C@:37]3([O:38][H:65])[H:66])([H:67])[H:68])([H:69])[C@:39]([O:40][H:70])([H:71])[C@:41]2([O:42][H:72])[H:73]):[C:43](=[O:44]):[N:45]:1[H:74]>>[N:1]([C:2]1:[C:3]([H:46]):[C:4]([H:47]):[C:5]([Br:6]):[C:7]([H:48]):[C:8]:1[Br:9])([C:28]1([H:56])[O:29][C@@:30]([C:31]([O:32][H:57])([H:58])[H:59])([H:60])[C@:33]([O:34][H:61])([H:62])[C@@:35]([O:36][H:63])([H:64])[C@:37]1([O:38][H:65])[H:66])[H:49].[H][O:27][P:24]([O:23][P:20]([O:19][C:18]([C@@:17]1([H:69])[O:16][C@:15]([N:14]2:[C:13]([H:52]):[C:12]([H:51]):[C:11](=[O:10]):[N:45]([H:74]):[C:43]:2=[O:44])([H:53])[C@@:41]([O:42][H:72])([H:73])[C@@:39]1([O:40][H:70])[H:71])([H:67])[H:68])(=[O:21])[O:22][H:54])(=[O:25])[O:26][H:55]