SMIRKS
[H][C@@:36]1([C:37](=[O:38])[O:39][H:68])[C@:19]([O:18][C@:17]2([H:70])[C@@:11]([N:12]([S:13](=[O:14])(=[O:15])[O:16][H:55])[H:56])([H:57])[C@:9]([O:10][H:53])([H:54])[C@@:8]([O:7][C@:6]3([H:75])[O:5][C@@:4]([C:2](=[O:1])[O:3][H:50])([H:51])[C@:48]([O:49][H:80])([H:81])[C@@:46]([O:47][H:78])([H:79])[C@:44]3([O:45][H:76])[H:77])([H:52])[C@:41]([C:42]([O:43][H:71])([H:72])[H:73])([H:74])[O:40]2)([H:58])[C@@:20]([O:21][H:59])([H:60])[C@:22]([O:23][H:61])([H:62])[C@@:24]([O:25][C:26]2:[C:27]([H:63]):[C:28]([H:64]):[C:29]([N+:30](=[O:31])[O-:32]):[C:33]([H:65]):[C:34]:2[H:66])([H:67])[O:35]1>>[C:19]1([H:58])=[C:36]([C:37](=[O:38])[O:39][H:68])[O:35][C@:24]([O:25][C:26]2:[C:27]([H:63]):[C:28]([H:64]):[C:29]([N+:30](=[O:31])[O-:32]):[C:33]([H:65]):[C:34]:2[H:66])([H:67])[C@@:22]([O:23][H:61])([H:62])[C@:20]1([O:21][H:59])[H:60].[H][O:18][C@:17]1([H:70])[C@@:11]([N:12]([S:13](=[O:14])(=[O:15])[O:16][H:55])[H:56])([H:57])[C@:9]([O:10][H:53])([H:54])[C@@:8]([O:7][C@:6]2([H:75])[O:5][C@@:4]([C:2](=[O:1])[O:3][H:50])([H:51])[C@:48]([O:49][H:80])([H:81])[C@@:46]([O:47][H:78])([H:79])[C@:44]2([O:45][H:76])[H:77])([H:52])[C@:41]([C:42]([O:43][H:71])([H:72])[H:73])([H:74])[O:40]1
Derived Operators
EVODEX.1-E326 - Reaction Operator E
[#8:18](-[#6@:17])-[#6@@:19]1(-[H:62])-[#6@@:20](-[#8:21])(-[H:64])-[#6@:22](-[#8:23])(-[H:66])-[#6@@:24](-[#8:25])(-[H:71])-[#8:35]-[#6@@:36]-1(-[#6:37]=[#8:38])-[H]>>[#6:19]1(-[H:62])=[#6:36](-[#6:37]=[#8:38])-[#8:35]-[#6@:24](-[#8:25])(-[H:71])-[#6@@:22](-[#8:23])(-[H:66])-[#6@:20]-1(-[#8:21])-[H:64].[#8:18](-[#6@:17])-[H]
EVODEX.1-C748 - Reaction Operator C
[H]-[#6@@:36]-[#6@:19](-[#8:18])-[#6@@:20]-[#6@:22]-[#6@@:24]>>[#6:19](=[#6:36])-[#6@:20]-[#6@@:22]-[#6@:24].[H]-[#8:18]
EVODEX.1-N955 - Reaction Operator N
[H]-[#6@@:36]1(-[#6:37])-[#6@:19](-[#8:18]-[#6@:17])(-[H:58])-[#6@@:20](-[#8:21])(-[H:60])-[#6@:22](-[#8:23])(-[H:62])-[#6@@:24](-[#8:25])(-[H:67])-[#8:35]-1>>[#6:19]1(-[H:58])=[#6:36](-[#6:37])-[#8:35]-[#6@:24](-[#8:25])(-[H:67])-[#6@@:22](-[#8:23])(-[H:62])-[#6@:20]-1(-[#8:21])-[H:60].[H]-[#8:18]-[#6@:17]
EVODEX.1-Em772 - Reaction Operator Em
[H]-[#6:36](-[#6:37]=[#8:38])(-[#6:19](-[#8:18]-[#6:17])-[#6:20])-[#8:35]>>[#6:19](=[#6:36](-[#6:37]=[#8:38])-[#8:35])-[#6:20].[H]-[#8:18]-[#6:17]
EVODEX.1-Nm693 - Reaction Operator Nm
[H]-[#6:36](-[#6:37])(-[#6:19](-[#8:18]-[#6:17])-[#6:20])-[#8:35]>>[#6:19](=[#6:36](-[#6:37])-[#8:35])-[#6:20].[H]-[#8:18]-[#6:17]
Source Full Reactions
EVODEX.1-R7061
[H][C@@:36]1([C:37](=[O:38])[O:39][H:68])[C@:19]([O:18][C@:17]2([H:70])[C@@:11]([N:12]([S:13](=[O:14])(=[O:15])[O:16][H:55])[H:56])([H:57])[C@:9]([O:10][H:53])([H:54])[C@@:8]([O:7][C@:6]3([H:75])[O:5][C@@:4]([C:2](=[O:1])[O:3][H:50])([H:51])[C@:48]([O:49][H:80])([H:81])[C@@:46]([O:47][H:78])([H:79])[C@:44]3([O:45][H:76])[H:77])([H:52])[C@:41]([C:42]([O:43][H:71])([H:72])[H:73])([H:74])[O:40]2)([H:58])[C@@:20]([O:21][H:59])([H:60])[C@:22]([O:23][H:61])([H:62])[C@@:24]([O:25][C:26]2:[C:27]([H:63]):[C:28]([H:64]):[C:29]([N+:30](=[O:31])[O-:32]):[C:33]([H:65]):[C:34]:2[H:66])([H:67])[O:35]1>>[C:19]1([H:58])=[C:36]([C:37](=[O:38])[O:39][H:68])[O:35][C@:24]([O:25][C:26]2:[C:27]([H:63]):[C:28]([H:64]):[C:29]([N+:30](=[O:31])[O-:32]):[C:33]([H:65]):[C:34]:2[H:66])([H:67])[C@@:22]([O:23][H:61])([H:62])[C@:20]1([O:21][H:59])[H:60].[H][O:18][C@:17]1([H:70])[C@@:11]([N:12]([S:13](=[O:14])(=[O:15])[O:16][H:55])[H:56])([H:57])[C@:9]([O:10][H:53])([H:54])[C@@:8]([O:7][C@:6]2([H:75])[O:5][C@@:4]([C:2](=[O:1])[O:3][H:50])([H:51])[C@:48]([O:49][H:80])([H:81])[C@@:46]([O:47][H:78])([H:79])[C@:44]2([O:45][H:76])[H:77])([H:52])[C@:41]([C:42]([O:43][H:71])([H:72])[H:73])([H:74])[O:40]1