SMIRKS
[H][N:1]([C:2]1:[C:3]([H:47]):[C:4]([H:48]):[C:5]([H:49]):[C:6]([N+:7](=[O:8])[O-:9]):[C:10]:1[H:50])[H:51].[O:11]=[C:12]1:[C:13]([H:53]):[C:14]([H:54]):[N:15]([C@:16]2([H:55])[O:17][C@@:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:56])[O:24][P:25](=[O:26])([O:27][H:57])[O:28][C@@:29]3([H:58])[O:30][C@@:31]([C:32]([O:33][H:59])([H:60])[H:61])([H:62])[C@:34]([O:35][H:63])([H:64])[C@@:36]([O:37][H:65])([H:66])[C@:38]3([O:39][H:67])[H:68])([H:69])[H:70])([H:71])[C@:40]([O:41][H:72])([H:73])[C@:42]2([O:43][H:74])[H:75]):[C:44](=[O:45]):[N:46]:1[H:76]>>[N:1]([C:2]1:[C:3]([H:47]):[C:4]([H:48]):[C:5]([H:49]):[C:6]([N+:7](=[O:8])[O-:9]):[C:10]:1[H:50])([C:29]1([H:58])[O:30][C@@:31]([C:32]([O:33][H:59])([H:60])[H:61])([H:62])[C@:34]([O:35][H:63])([H:64])[C@@:36]([O:37][H:65])([H:66])[C@:38]1([O:39][H:67])[H:68])[H:51].[H][O:28][P:25]([O:24][P:21]([O:20][C:19]([C@@:18]1([H:71])[O:17][C@:16]([N:15]2:[C:14]([H:54]):[C:13]([H:53]):[C:12](=[O:11]):[N:46]([H:76]):[C:44]:2=[O:45])([H:55])[C@@:42]([O:43][H:74])([H:75])[C@@:40]1([O:41][H:72])[H:73])([H:69])[H:70])(=[O:22])[O:23][H:56])(=[O:26])[O:27][H:57]
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-R3221
[H][N:1]([C:2]1:[C:3]([H:47]):[C:4]([H:48]):[C:5]([H:49]):[C:6]([N+:7](=[O:8])[O-:9]):[C:10]:1[H:50])[H:51].[O:11]=[C:12]1:[C:13]([H:53]):[C:14]([H:54]):[N:15]([C@:16]2([H:55])[O:17][C@@:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:56])[O:24][P:25](=[O:26])([O:27][H:57])[O:28][C@@:29]3([H:58])[O:30][C@@:31]([C:32]([O:33][H:59])([H:60])[H:61])([H:62])[C@:34]([O:35][H:63])([H:64])[C@@:36]([O:37][H:65])([H:66])[C@:38]3([O:39][H:67])[H:68])([H:69])[H:70])([H:71])[C@:40]([O:41][H:72])([H:73])[C@:42]2([O:43][H:74])[H:75]):[C:44](=[O:45]):[N:46]:1[H:76]>>[N:1]([C:2]1:[C:3]([H:47]):[C:4]([H:48]):[C:5]([H:49]):[C:6]([N+:7](=[O:8])[O-:9]):[C:10]:1[H:50])([C:29]1([H:58])[O:30][C@@:31]([C:32]([O:33][H:59])([H:60])[H:61])([H:62])[C@:34]([O:35][H:63])([H:64])[C@@:36]([O:37][H:65])([H:66])[C@:38]1([O:39][H:67])[H:68])[H:51].[H][O:28][P:25]([O:24][P:21]([O:20][C:19]([C@@:18]1([H:71])[O:17][C@:16]([N:15]2:[C:14]([H:54]):[C:13]([H:53]):[C:12](=[O:11]):[N:46]([H:76]):[C:44]:2=[O:45])([H:55])[C@@:42]([O:43][H:74])([H:75])[C@@:40]1([O:41][H:72])[H:73])([H:69])[H:70])(=[O:22])[O:23][H:56])(=[O:26])[O:27][H:57]