SMIRKS
[O:1]=[N+:2]([O-:3])[C:4]1:[C:5]([H:39]):[C:6]([H:40]):[C:7]([O:8][C@:9]2([H:41])[O:10][C:11]([H:42])([H:43])[C@:12]([O:13][H:44])([H:45])[C@@:14]([O:15][H:46])([H:47])[C@:16]2([O:17][H:48])[H:49]):[C:18]([H:50]):[C:19]:1[H:51].[H][O:38][C@@:37]1([H:68])[C@@:21]([O:20][H:69])([H:52])[C@:22]([O:23][H:53])([H:54])[C@@:24]([O:25][C@:26]2([H:55])[C:27]([H:56])([H:57])[O:28][C@:29]([O:30][H:58])([H:59])[C@@:31]([O:32][H:60])([H:61])[C@:33]2([O:34][H:62])[H:63])([H:64])[O:35][C:36]1([H:65])[H:66]>>[C@@:9]1([O:38][C@@:37]2([H:68])[C@@:21]([O:20][H:69])([H:52])[C@:22]([O:23][H:53])([H:54])[C@@:24]([O:25][C@:26]3([H:55])[C:27]([H:56])([H:57])[O:28][C@:29]([O:30][H:58])([H:59])[C@@:31]([O:32][H:60])([H:61])[C@:33]3([O:34][H:62])[H:63])([H:64])[O:35][C:36]2([H:65])[H:66])([H:41])[O:10][C:11]([H:42])([H:43])[C@:12]([O:13][H:44])([H:45])[C@@:14]([O:15][H:46])([H:47])[C@:16]1([O:17][H:48])[H:49].[H][O:8][C:7]1:[C:6]([H:40]):[C:5]([H:39]):[C:4]([N+:2](=[O:1])[O-:3]):[C:19]([H:51]):[C:18]:1[H:50]
Derived Operators
EVODEX.1-E310 - Reaction Operator E
[#8:9]-[#6@:10](-[#8:11]-[#6@:12])(-[H:72])-[#6@@:21].[#8:29]-[#6@:30](-[H:83])(-[#6@:31])-[#6@@:55](-[#6:54])(-[#8:56]-[H])-[H:107]>>[#8:11](-[#6@:12])-[H].[#8:9]-[#6@:10](-[#8:56]-[#6@@:55](-[H:107])(-[#6@@:30](-[#8:29])(-[H:83])-[#6@:31])-[#6:54])(-[H:72])-[#6@@:21]
EVODEX.1-N21 - Reaction Operator N
[#8:24]-[#6@@:25](-[#6@:5])(-[#8:26]-[#6:27])-[H:66].[H]-[#8:42]-[#6:41]>>[#8:24]-[#6@:25](-[#6@:5])(-[#8:42]-[#6:41])-[H:66].[H]-[#8:26]-[#6:27]
EVODEX.1-Em44 - Reaction Operator Em
[#6:5]-[#6:25](-[#8:24])-[#8:26]-[#6:27].[H]-[#8:42]-[#6:41]>>[#6:5]-[#6:25](-[#8:24])-[#8:42]-[#6:41].[H]-[#8:26]-[#6:27]
EVODEX.1-Nm47 - Reaction Operator Nm
[#6:5]-[#6:25](-[#8:24])-[#8:26]-[#6:27].[H]-[#8:42]-[#6:41]>>[#6:5]-[#6:25](-[#8:24])-[#8:42]-[#6:41].[H]-[#8:26]-[#6:27]
Source Full Reactions
EVODEX.1-R5317
[O:1]=[N+:2]([O-:3])[C:4]1:[C:5]([H:39]):[C:6]([H:40]):[C:7]([O:8][C@:9]2([H:41])[O:10][C:11]([H:42])([H:43])[C@:12]([O:13][H:44])([H:45])[C@@:14]([O:15][H:46])([H:47])[C@:16]2([O:17][H:48])[H:49]):[C:18]([H:50]):[C:19]:1[H:51].[H][O:38][C@@:37]1([H:68])[C@@:21]([O:20][H:69])([H:52])[C@:22]([O:23][H:53])([H:54])[C@@:24]([O:25][C@:26]2([H:55])[C:27]([H:56])([H:57])[O:28][C@:29]([O:30][H:58])([H:59])[C@@:31]([O:32][H:60])([H:61])[C@:33]2([O:34][H:62])[H:63])([H:64])[O:35][C:36]1([H:65])[H:66]>>[C@@:9]1([O:38][C@@:37]2([H:68])[C@@:21]([O:20][H:69])([H:52])[C@:22]([O:23][H:53])([H:54])[C@@:24]([O:25][C@:26]3([H:55])[C:27]([H:56])([H:57])[O:28][C@:29]([O:30][H:58])([H:59])[C@@:31]([O:32][H:60])([H:61])[C@:33]3([O:34][H:62])[H:63])([H:64])[O:35][C:36]2([H:65])[H:66])([H:41])[O:10][C:11]([H:42])([H:43])[C@:12]([O:13][H:44])([H:45])[C@@:14]([O:15][H:46])([H:47])[C@:16]1([O:17][H:48])[H:49].[H][O:8][C:7]1:[C:6]([H:40]):[C:5]([H:39]):[C:4]([N+:2](=[O:1])[O-:3]):[C:19]([H:51]):[C:18]:1[H:50]