SMIRKS
[H][C@@:25]1([C:26](=[O:27])[O:28][H:60])[C@:8]([O:7][C@:6]2([H:62])[C@@:5]([N:4]([C:2]([C:1]([H:80])([H:81])[H:82])=[O:3])[H:79])([H:49])[C@:47]([O:48][H:77])([H:78])[C@@:33]([O:34][C@:35]3([H:67])[O:36][C@@:37]([C:38](=[O:39])[O:40][H:68])([H:69])[C@:41]([O:42][H:70])([H:71])[C@@:43]([O:44][H:72])([H:73])[C@:45]3([O:46][H:74])[H:75])([H:76])[C@:30]([C:31]([O:32][H:63])([H:64])[H:65])([H:66])[O:29]2)([H:50])[C@@:9]([O:10][H:51])([H:52])[C@:11]([O:12][H:53])([H:54])[C@@:13]([O:14][C:15]2:[C:16]([H:55]):[C:17]([H:56]):[C:18]([N+:19](=[O:20])[O-:21]):[C:22]([H:57]):[C:23]:2[H:58])([H:59])[O:24]1>>[H][O:7][C@:6]1([H:62])[C@@:5]([N:4]([C:2]([C:1]([H:80])([H:81])[H:82])=[O:3])[H:79])([H:49])[C@:47]([O:48][H:77])([H:78])[C@@:33]([O:34][C@:35]2([H:67])[O:36][C@@:37]([C:38](=[O:39])[O:40][H:68])([H:69])[C@:41]([O:42][H:70])([H:71])[C@@:43]([O:44][H:72])([H:73])[C@:45]2([O:46][H:74])[H:75])([H:76])[C@:30]([C:31]([O:32][H:63])([H:64])[H:65])([H:66])[O:29]1.[C:8]1([H:50])=[C:25]([C:26](=[O:27])[O:28][H:60])[O:24][C@:13]([O:14][C:15]2:[C:16]([H:55]):[C:17]([H:56]):[C:18]([N+:19](=[O:20])[O-:21]):[C:22]([H:57]):[C:23]:2[H:58])([H:59])[C@@:11]([O:12][H:53])([H:54])[C@:9]1([O:10][H:51])[H:52]
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-R7059
[H][C@@:25]1([C:26](=[O:27])[O:28][H:60])[C@:8]([O:7][C@:6]2([H:62])[C@@:5]([N:4]([C:2]([C:1]([H:80])([H:81])[H:82])=[O:3])[H:79])([H:49])[C@:47]([O:48][H:77])([H:78])[C@@:33]([O:34][C@:35]3([H:67])[O:36][C@@:37]([C:38](=[O:39])[O:40][H:68])([H:69])[C@:41]([O:42][H:70])([H:71])[C@@:43]([O:44][H:72])([H:73])[C@:45]3([O:46][H:74])[H:75])([H:76])[C@:30]([C:31]([O:32][H:63])([H:64])[H:65])([H:66])[O:29]2)([H:50])[C@@:9]([O:10][H:51])([H:52])[C@:11]([O:12][H:53])([H:54])[C@@:13]([O:14][C:15]2:[C:16]([H:55]):[C:17]([H:56]):[C:18]([N+:19](=[O:20])[O-:21]):[C:22]([H:57]):[C:23]:2[H:58])([H:59])[O:24]1>>[H][O:7][C@:6]1([H:62])[C@@:5]([N:4]([C:2]([C:1]([H:80])([H:81])[H:82])=[O:3])[H:79])([H:49])[C@:47]([O:48][H:77])([H:78])[C@@:33]([O:34][C@:35]2([H:67])[O:36][C@@:37]([C:38](=[O:39])[O:40][H:68])([H:69])[C@:41]([O:42][H:70])([H:71])[C@@:43]([O:44][H:72])([H:73])[C@:45]2([O:46][H:74])[H:75])([H:76])[C@:30]([C:31]([O:32][H:63])([H:64])[H:65])([H:66])[O:29]1.[C:8]1([H:50])=[C:25]([C:26](=[O:27])[O:28][H:60])[O:24][C@:13]([O:14][C:15]2:[C:16]([H:55]):[C:17]([H:56]):[C:18]([N+:19](=[O:20])[O-:21]):[C:22]([H:57]):[C:23]:2[H:58])([H:59])[C@@:11]([O:12][H:53])([H:54])[C@:9]1([O:10][H:51])[H:52]