SMIRKS
[H][O:8][C:7]1:[C:6]([H:46]):[C:5]([H:45]):[C:4]([N+:2](=[O:1])[O-:3]):[C:10]([H:49]):[C:9]:1[H:48].[O:11]([C:12]([C@@:13]1([H:50])[O:14][C@@:15]([O:16][C:17]([C@@:18]2([H:51])[O:19][C@@:20]([O:21][C@:22]3([C:23]([O:24][H:52])([H:53])[H:54])[O:25][C@@:26]([C:27]([O:28][H:55])([H:56])[H:57])([H:58])[C@:29]([O:30][H:59])([H:60])[C@@:31]3([O:32][H:61])[H:62])([H:63])[C@@:33]([O:34][H:64])([H:65])[C@:35]([O:36][H:66])([H:67])[C@@:37]2([O:38][H:68])[H:69])([H:70])[H:71])([H:72])[C@@:39]([O:40][H:73])([H:74])[C@:41]([O:42][H:75])([H:76])[C@:43]1([O:44][H:77])[H:78])([H:79])[H:80])[H:81]>>[O:1]=[N+:2]([O-:3])[C:4]1:[C:5]([H:45]):[C:6]([H:46]):[C:7]([O:8][C@@:15]2([H:72])[O:14][C@@:13]([C:12]([O:11][H:81])([H:79])[H:80])([H:50])[C@@:43]([O:44][H:77])([H:78])[C@@:41]([O:42][H:75])([H:76])[C@:39]2([O:40][H:73])[H:74]):[C:9]([H:48]):[C:10]:1[H:49].[H][O:16][C:17]([C@@:18]1([H:51])[O:19][C@@:20]([O:21][C@:22]2([C:23]([O:24][H:52])([H:53])[H:54])[O:25][C@@:26]([C:27]([O:28][H:55])([H:56])[H:57])([H:58])[C@:29]([O:30][H:59])([H:60])[C@@:31]2([O:32][H:61])[H:62])([H:63])[C@@:33]([O:34][H:64])([H:65])[C@:35]([O:36][H:66])([H:67])[C@@:37]1([O:38][H:68])[H:69])([H:70])[H:71]
Derived Operators
EVODEX.1-C81 - Reaction Operator C
[#8:8]-[#6@:7]-[#6@@:18]-[#6@:20]-[#6@@:22].[H]-[#8:1]>>[#8:1]-[#6:7]-[#6@:18]-[#6@@:20]-[#6@:22].[H]-[#8:8]
EVODEX.1-N1317 - Reaction Operator N
[H]-[#8:8]-[#6:7].[#8:16]1-[#6@@:15]-[#6@:34](-[#6@@:32](-[#6@:30](-[#6@@:17]-1(-[#8:18]-[#6@@:19])-[H:56])(-[#8:31])-[H:58])(-[#8:33])-[H:60])(-[#8:35])-[H:62]>>[#6:7]-[#8:8]-[#6@@:17]1(-[H:56])-[#8:16]-[#6@@:15]-[#6@:34](-[#8:35])(-[H:62])-[#6@@:32](-[#8:33])(-[H:60])-[#6@:30]-1(-[#8:31])-[H:58].[H]-[#8:18]-[#6@@:19]
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-R3235
[H][O:8][C:7]1:[C:6]([H:46]):[C:5]([H:45]):[C:4]([N+:2](=[O:1])[O-:3]):[C:10]([H:49]):[C:9]:1[H:48].[O:11]([C:12]([C@@:13]1([H:50])[O:14][C@@:15]([O:16][C:17]([C@@:18]2([H:51])[O:19][C@@:20]([O:21][C@:22]3([C:23]([O:24][H:52])([H:53])[H:54])[O:25][C@@:26]([C:27]([O:28][H:55])([H:56])[H:57])([H:58])[C@:29]([O:30][H:59])([H:60])[C@@:31]3([O:32][H:61])[H:62])([H:63])[C@@:33]([O:34][H:64])([H:65])[C@:35]([O:36][H:66])([H:67])[C@@:37]2([O:38][H:68])[H:69])([H:70])[H:71])([H:72])[C@@:39]([O:40][H:73])([H:74])[C@:41]([O:42][H:75])([H:76])[C@:43]1([O:44][H:77])[H:78])([H:79])[H:80])[H:81]>>[O:1]=[N+:2]([O-:3])[C:4]1:[C:5]([H:45]):[C:6]([H:46]):[C:7]([O:8][C@@:15]2([H:72])[O:14][C@@:13]([C:12]([O:11][H:81])([H:79])[H:80])([H:50])[C@@:43]([O:44][H:77])([H:78])[C@@:41]([O:42][H:75])([H:76])[C@:39]2([O:40][H:73])[H:74]):[C:9]([H:48]):[C:10]:1[H:49].[H][O:16][C:17]([C@@:18]1([H:51])[O:19][C@@:20]([O:21][C@:22]2([C:23]([O:24][H:52])([H:53])[H:54])[O:25][C@@:26]([C:27]([O:28][H:55])([H:56])[H:57])([H:58])[C@:29]([O:30][H:59])([H:60])[C@@:31]2([O:32][H:61])[H:62])([H:63])[C@@:33]([O:34][H:64])([H:65])[C@:35]([O:36][H:66])([H:67])[C@@:37]1([O:38][H:68])[H:69])([H:70])[H:71]