SMIRKS
[O:1]=[C:2]1[C:3]([H:43])=[C:4]([H:44])[C:5](=[O:6])[C:7]([H:45])=[C:8]1[H:46].[H][C@:24]1([O:25][H])[C@@:22]([O:23][H:56])([H:57])[C@:19]([C:20]([O:21][H:52])([H:53])[H:54])([H:55])[O:18][C@@:17]([O:16][C@:13]2([C:14]([O:15][H:48])([H:49])[H:50])[O:12][C@@:11]([C:10]([O:9][H:78])([H:76])[H:77])([H:47])[C@:41]([O:42][H:74])([H:75])[C@@:28]2([O:29][C@@:30]2([H:62])[O:31][C@@:32]([C:33]([O:34][H:63])([H:64])[H:65])([H:66])[C@:35]([O:36][H:67])([H:68])[C@@:37]([O:38][H:69])([H:70])[C@:39]2([O:40][H:71])[H:72])[H:73])([H:51])[C@@:26]1([O:27][H:60])[H:61]>>[H][O:1][C:2]1:[C:3]([H:43]):[C:4]([H:44]):[C:5]([O:6][H]):[C:7]([H:45]):[C:8]:1[H:46].[O:9]([C:10]([C@@:11]1([H:47])[O:12][C@@:13]([C:14]([O:15][H:48])([H:49])[H:50])([O:16][C@@:17]2([H:51])[O:18][C@@:19]([C:20]([O:21][H:52])([H:53])[H:54])([H:55])[C@:22]([O:23][H:56])([H:57])[C:24](=[O:25])[C@:26]2([O:27][H:60])[H:61])[C@:28]([O:29][C@@:30]2([H:62])[O:31][C@@:32]([C:33]([O:34][H:63])([H:64])[H:65])([H:66])[C@:35]([O:36][H:67])([H:68])[C@@:37]([O:38][H:69])([H:70])[C@:39]2([O:40][H:71])[H:72])([H:73])[C@@:41]1([O:42][H:74])[H:75])([H:76])[H:77])[H:78]
Derived Operators
EVODEX.1-E314 - Reaction Operator E
[#8:1]=[#6:2]1-[#6:3]=[#6:4]-[#6:5](=[#8:6])-[#6:7]=[#6:8]-1.[#8:14](-[#6@:13](-[#6@:11])(-[#6@:15])-[H])-[H]>>[#6:13](-[#6@:11])(=[#8:14])-[#6@:15].[#8:1](-[#6:2]1:[#6:3]:[#6:4]:[#6:5](-[#8:6]-[H]):[#6:7]:[#6:8]:1)-[H]
EVODEX.1-C1043 - Reaction Operator C
([#8:1].[#8:6]).([H]-[#6@:24](-[#8:25]-[H])(-[#6@@:22]-[#6@:19])-[#6@@:26].[#6@:13]-[#6@@:28]-[#6@:41])>>([H]-[#8:1].[#8:6]-[H]).([#6:24](-[#6@:22]-[#6@@:19])(=[#8:25])-[#6@:26].[#6@@:13]-[#6@:28]-[#6@@:41])
EVODEX.1-N1481 - Reaction Operator N
([#8:1]=[#6:2].[#6:5]=[#8:6]).[H]-[#6@:24]1(-[#8:25]-[H])-[#6@@:22](-[#8:23])(-[H:57])-[#6@:19](-[#6:20])(-[H:55])-[#8:18]-[#6@@:17](-[#8:16]-[#6@:13]2(-[#6:14])-[#8:12]-[#6@@:11]-[#6@:41](-[#8:42])(-[H:75])-[#6@@:28]-2(-[#8:29])-[H:73])-[#6@@:26]-1(-[#8:27])-[H:61]>>([H]-[#8:1]-[#6:2].[#6:5]-[#8:6]-[H]).[#8:12]1-[#6@@:11]-[#6@:41](-[#6@@:28](-[#6@:13]-1(-[#6:14])-[#8:16]-[#6@:17]1-[#8:18]-[#6@@:19](-[#6:20])(-[H:55])-[#6@:22](-[#8:23])(-[H:57])-[#6:24](=[#8:25])-[#6@:26]-1(-[#8:27])-[H:61])(-[#8:29])-[H:73])(-[#8:42])-[H:75]
EVODEX.1-Em195 - Reaction Operator Em
[#8:1]=[#6:2]1-[#6:3]=[#6:4]-[#6:5](=[#8:6])-[#6:7]=[#6:8]-1.[H]-[#6:13](-[#6:11])(-[#8:14]-[H])-[#6:15]>>[#6:11]-[#6:13](=[#8:14])-[#6:15].[H]-[#8:1]-[#6:2]1:[#6:3]:[#6:4]:[#6:5](-[#8:6]-[H]):[#6:7]:[#6:8]:1
EVODEX.1-Cm76 - Reaction Operator Cm
([#8:1].[#8:6]).[H]-[#6:13]-[#8:14]-[H]>>[#6:13]=[#8:14].([H]-[#8:1].[#8:6]-[H])
EVODEX.1-Nm98 - Reaction Operator Nm
([#8:1]=[#6:2].[#6:5]=[#8:6]).[H]-[#6:13](-[#6:11])(-[#8:14]-[H])-[#6:15]>>[#6:11]-[#6:13](=[#8:14])-[#6:15].([H]-[#8:1]-[#6:2].[#6:5]-[#8:6]-[H])
Source Full Reactions
EVODEX.1-R227
[O:1]=[C:2]1[C:3]([H:43])=[C:4]([H:44])[C:5](=[O:6])[C:7]([H:45])=[C:8]1[H:46].[H][C@:24]1([O:25][H])[C@@:22]([O:23][H:56])([H:57])[C@:19]([C:20]([O:21][H:52])([H:53])[H:54])([H:55])[O:18][C@@:17]([O:16][C@:13]2([C:14]([O:15][H:48])([H:49])[H:50])[O:12][C@@:11]([C:10]([O:9][H:78])([H:76])[H:77])([H:47])[C@:41]([O:42][H:74])([H:75])[C@@:28]2([O:29][C@@:30]2([H:62])[O:31][C@@:32]([C:33]([O:34][H:63])([H:64])[H:65])([H:66])[C@:35]([O:36][H:67])([H:68])[C@@:37]([O:38][H:69])([H:70])[C@:39]2([O:40][H:71])[H:72])[H:73])([H:51])[C@@:26]1([O:27][H:60])[H:61]>>[H][O:1][C:2]1:[C:3]([H:43]):[C:4]([H:44]):[C:5]([O:6][H]):[C:7]([H:45]):[C:8]:1[H:46].[O:9]([C:10]([C@@:11]1([H:47])[O:12][C@@:13]([C:14]([O:15][H:48])([H:49])[H:50])([O:16][C@@:17]2([H:51])[O:18][C@@:19]([C:20]([O:21][H:52])([H:53])[H:54])([H:55])[C@:22]([O:23][H:56])([H:57])[C:24](=[O:25])[C@:26]2([O:27][H:60])[H:61])[C@:28]([O:29][C@@:30]2([H:62])[O:31][C@@:32]([C:33]([O:34][H:63])([H:64])[H:65])([H:66])[C@:35]([O:36][H:67])([H:68])[C@@:37]([O:38][H:69])([H:70])[C@:39]2([O:40][H:71])[H:72])([H:73])[C@@:41]1([O:42][H:74])[H:75])([H:76])[H:77])[H:78]