SMIRKS
[H][C@@:22]1([O:23][H])[C:21]([H:56])([H:57])[C@@:20]2([H:55])[C:18](=[O:19])[C:17]([H:54])=[C:16]3[C@:14]4([O:15][H:53])[C:13]([H:51])([H:52])[C:12]([H:49])([H:50])[C@@:11]([C@:2]([C:1]([H:76])([H:77])[H:78])([C@:3]([O:4][H:35])([C:5]([C:6]([C:7]([C:8]([H:36])([H:37])[H:38])([C:9]([H:39])([H:40])[H:41])[O:10][H:42])([H:43])[H:44])([H:45])[H:46])[H:47])[H:75])([H:48])[C@@:31]4([C:32]([H:72])([H:73])[H:74])[C:30]([H:70])([H:71])[C:29]([H:68])([H:69])[C@:28]3([H:67])[C@@:26]2([C:27]([H:64])([H:65])[H:66])[C:25]([H:62])([H:63])[C:24]1([H:60])[H:61].[O:33]=[O:34]>>[C:1]([C@:2]([C@:3]([O:4][H:35])([C:5]([C:6]([C:7]([C:8]([H:36])([H:37])[H:38])([C:9]([H:39])([H:40])[H:41])[O:10][H:42])([H:43])[H:44])([H:45])[H:46])[H:47])([C@@:11]1([H:48])[C:12]([H:49])([H:50])[C:13]([H:51])([H:52])[C@@:14]2([O:15][H:53])[C:16]3=[C:17]([H:54])[C:18](=[O:19])[C@:20]4([H:55])[C:21]([H:56])([H:57])[C:22](=[O:23])[C:24]([H:60])([H:61])[C:25]([H:62])([H:63])[C@:26]4([C:27]([H:64])([H:65])[H:66])[C@@:28]3([H:67])[C:29]([H:68])([H:69])[C:30]([H:70])([H:71])[C@:31]12[C:32]([H:72])([H:73])[H:74])[H:75])([H:76])([H:77])[H:78].[H][O:33][O:34][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-C1180 - Reaction Operator C
([H]-[#6@@:22]-[#8:23]-[H].[#6@@:20]-[#6@@:26]-[#6@:28].[#6@:14]-[#6@@:31]).[#8:33]=[#8:34]>>([#6:22]=[#8:23].[#6@@:14]-[#6@:31].[#6@:20]-[#6@:26]-[#6@@:28]).[H]-[#8:33]-[#8:34]-[H]
EVODEX.1-N1462 - Reaction Operator N
[H]-[#6@@:22]1(-[#8:23]-[H])-[#6:21]-[#6@@:20](-[H:55])(-[#6:18])-[#6@:26](-[#6@@:28]2(-[#6:16]-[#6@:14](-[#8:15])(-[#6:13])-[#6@:31](-[#6@@:11])(-[#6:32])-[#6:30]-[#6:29]-2)-[H:67])(-[#6:27])-[#6:25]-[#6:24]-1.[#8:33]=[#8:34]>>[#6:13]-[#6@@:14]1(-[#8:15])-[#6:16]-[#6@:28](-[#6@@:26]2(-[#6@@:20](-[#6:18])(-[H:55])-[#6:21]-[#6:22](=[#8:23])-[#6:24]-[#6:25]-2)-[#6:27])(-[H:67])-[#6:29]-[#6:30]-[#6@@:31]-1(-[#6@@:11])-[#6:32].[H]-[#8:33]-[#8:34]-[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-R150
[H][C@@:22]1([O:23][H])[C:21]([H:56])([H:57])[C@@:20]2([H:55])[C:18](=[O:19])[C:17]([H:54])=[C:16]3[C@:14]4([O:15][H:53])[C:13]([H:51])([H:52])[C:12]([H:49])([H:50])[C@@:11]([C@:2]([C:1]([H:76])([H:77])[H:78])([C@:3]([O:4][H:35])([C:5]([C:6]([C:7]([C:8]([H:36])([H:37])[H:38])([C:9]([H:39])([H:40])[H:41])[O:10][H:42])([H:43])[H:44])([H:45])[H:46])[H:47])[H:75])([H:48])[C@@:31]4([C:32]([H:72])([H:73])[H:74])[C:30]([H:70])([H:71])[C:29]([H:68])([H:69])[C@:28]3([H:67])[C@@:26]2([C:27]([H:64])([H:65])[H:66])[C:25]([H:62])([H:63])[C:24]1([H:60])[H:61].[O:33]=[O:34]>>[C:1]([C@:2]([C@:3]([O:4][H:35])([C:5]([C:6]([C:7]([C:8]([H:36])([H:37])[H:38])([C:9]([H:39])([H:40])[H:41])[O:10][H:42])([H:43])[H:44])([H:45])[H:46])[H:47])([C@@:11]1([H:48])[C:12]([H:49])([H:50])[C:13]([H:51])([H:52])[C@@:14]2([O:15][H:53])[C:16]3=[C:17]([H:54])[C:18](=[O:19])[C@:20]4([H:55])[C:21]([H:56])([H:57])[C:22](=[O:23])[C:24]([H:60])([H:61])[C:25]([H:62])([H:63])[C@:26]4([C:27]([H:64])([H:65])[H:66])[C@@:28]3([H:67])[C:29]([H:68])([H:69])[C:30]([H:70])([H:71])[C@:31]12[C:32]([H:72])([H:73])[H:74])[H:75])([H:76])([H:77])[H:78].[H][O:33][O:34][H]