SMIRKS
[H][C@:24]1([O:25][H])[C:23]([H:60])([H:61])[C:22]([H:58])([H:59])[C@:20]2([C:21]([H:55])([H:56])[H:57])[C:15]3=[C:14]([C@:12]4([C:13]([H:45])([H:46])[H:47])[C:11]([H:43])([H:44])[C:10]([H:41])([H:42])[C@@:9]([C@@:7]([C:6]([C:5]([C:4](=[C:2]([C:1]([H:81])([H:82])[H:83])[C:3]([H:34])([H:35])[H:36])[H:80])([H:78])[H:79])([H:76])[H:77])([C:8]([H:37])([H:38])[H:39])[H:75])([H:40])[C@@:18]4([C:19]([H:52])([H:53])[H:54])[C:17]([H:50])([H:51])[C:16]3([H:48])[H:49])[C:31]([H:73])([H:74])[C:30]([H:71])([H:72])[C@@:29]2([H:70])[C:26]1([C:27]([H:64])([H:65])[H:66])[C:28]([H:67])([H:68])[H:69].[O:32]=[O:33]>>[C:1]([C:2]([C:3]([H:34])([H:35])[H:36])=[C:4]([C:5]([C:6]([C@@:7]([C:8]([H:37])([H:38])[H:39])([C@@:9]1([H:40])[C:10]([H:41])([H:42])[C:11]([H:43])([H:44])[C@@:12]2([C:13]([H:45])([H:46])[H:47])[C:14]3=[C:15]([C:16]([H:48])([H:49])[C:17]([H:50])([H:51])[C@:18]12[C:19]([H:52])([H:53])[H:54])[C@@:20]1([C:21]([H:55])([H:56])[H:57])[C:22]([H:58])([H:59])[C:23]([H:60])([H:61])[C:24](=[O:25])[C:26]([C:27]([H:64])([H:65])[H:66])([C:28]([H:67])([H:68])[H:69])[C@:29]1([H:70])[C:30]([H:71])([H:72])[C:31]3([H:73])[H:74])[H:75])([H:76])[H:77])([H:78])[H:79])[H:80])([H:81])([H:82])[H:83].[H][O:32][O:33][H]
Derived Operators
EVODEX.1-E147 - Reaction Operator E
[#8:1]=[#8:2].[#8:11](-[#6@:10](-[#6@@:9])(-[H])-[#6@:12])-[H]>>[#8:1](-[#8:2]-[H])-[H].[#6:10](-[#6@@:9])(=[#8:11])-[#6@:12]
EVODEX.1-C1185 - Reaction Operator C
([H]-[#6@:24]-[#8:25]-[H].[#6@:20]-[#6@@:29].[#6@:12]-[#6@@:18]).[#8:32]=[#8:33]>>([#6:24]=[#8:25].[#6@@:12]-[#6@:18].[#6@@:20]-[#6@:29]).[H]-[#8:32]-[#8:33]-[H]
EVODEX.1-N1468 - Reaction Operator N
[H]-[#6@:24]1(-[#8:25]-[H])-[#6:23]-[#6:22]-[#6@:20](-[#6:21])(-[#6:15]=[#6:14]-[#6@:12](-[#6:13])(-[#6:11])-[#6@:18](-[#6@@:9])(-[#6:19])-[#6:17])-[#6@:29](-[#6:30])(-[H:70])-[#6:26]-1.[#8:32]=[#8:33]>>[#6:11]-[#6@@:12](-[#6:13])(-[#6:14]=[#6:15]-[#6@@:20]1(-[#6:21])-[#6:22]-[#6:23]-[#6:24](=[#8:25])-[#6:26]-[#6@:29]-1(-[H:70])-[#6:30])-[#6@@:18](-[#6@@:9])(-[#6:17])-[#6:19].[H]-[#8:32]-[#8:33]-[H]
EVODEX.1-Em180 - Reaction Operator Em
[H]-[#6:24](-[#8:25]-[H])(-[#6:23])-[#6:26].[#8:32]=[#8:33]>>[#6:23]-[#6:24](=[#8:25])-[#6:26].[H]-[#8:32]-[#8:33]-[H]
EVODEX.1-Cm63 - Reaction Operator Cm
[#8:1]=[#8:2].[H]-[#8:3]-[#6:4]-[H]>>[#8:3]=[#6:4].[H]-[#8:1]-[#8:2]-[H]
EVODEX.1-Nm93 - Reaction Operator Nm
[H]-[#6:24](-[#8:25]-[H])(-[#6:23])-[#6:26].[#8:32]=[#8:33]>>[#6:23]-[#6:24](=[#8:25])-[#6:26].[H]-[#8:32]-[#8:33]-[H]
Source Full Reactions
EVODEX.1-R178
[H][C@:24]1([O:25][H])[C:23]([H:60])([H:61])[C:22]([H:58])([H:59])[C@:20]2([C:21]([H:55])([H:56])[H:57])[C:15]3=[C:14]([C@:12]4([C:13]([H:45])([H:46])[H:47])[C:11]([H:43])([H:44])[C:10]([H:41])([H:42])[C@@:9]([C@@:7]([C:6]([C:5]([C:4](=[C:2]([C:1]([H:81])([H:82])[H:83])[C:3]([H:34])([H:35])[H:36])[H:80])([H:78])[H:79])([H:76])[H:77])([C:8]([H:37])([H:38])[H:39])[H:75])([H:40])[C@@:18]4([C:19]([H:52])([H:53])[H:54])[C:17]([H:50])([H:51])[C:16]3([H:48])[H:49])[C:31]([H:73])([H:74])[C:30]([H:71])([H:72])[C@@:29]2([H:70])[C:26]1([C:27]([H:64])([H:65])[H:66])[C:28]([H:67])([H:68])[H:69].[O:32]=[O:33]>>[C:1]([C:2]([C:3]([H:34])([H:35])[H:36])=[C:4]([C:5]([C:6]([C@@:7]([C:8]([H:37])([H:38])[H:39])([C@@:9]1([H:40])[C:10]([H:41])([H:42])[C:11]([H:43])([H:44])[C@@:12]2([C:13]([H:45])([H:46])[H:47])[C:14]3=[C:15]([C:16]([H:48])([H:49])[C:17]([H:50])([H:51])[C@:18]12[C:19]([H:52])([H:53])[H:54])[C@@:20]1([C:21]([H:55])([H:56])[H:57])[C:22]([H:58])([H:59])[C:23]([H:60])([H:61])[C:24](=[O:25])[C:26]([C:27]([H:64])([H:65])[H:66])([C:28]([H:67])([H:68])[H:69])[C@:29]1([H:70])[C:30]([H:71])([H:72])[C:31]3([H:73])[H:74])[H:75])([H:76])[H:77])([H:78])[H:79])[H:80])([H:81])([H:82])[H:83].[H][O:32][O:33][H]