5-chloro-2-[2-(5-chloro-2,4-dimethoxy-phenyl)ethyl]-2-cyclopentyl-4-hydroxy-3H-pyran-6-one → HCID 178519117, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][CH2:16][C:17]2([CH:26]3[CH2:27][CH2:28][CH2:29][CH2:30]3)[CH2:18][C:19]([OH:25])=[C:20]([Cl:24])[C:21](=[O:23])[O:22]2)[cH:13][cH:14]1.[CH3:69][c:70]1[cH:71][c:72]([CH3:73])[n:74]2[n:75][c:76]([SH:77])[n:78][c:79]2[n:80]1.[Cl:31][C:32]1=[C:56]([OH:57])[CH2:55][C:36]([CH2:37][CH2:38][c:39]2[cH:40][c:41]([Cl:42])[c:43]([O:44][CH3:45])[cH:46][c:47]2[O:48][CH3:49])([CH:50]2[CH2:51][CH2:52][CH2:53][CH2:54]2)[O:35][C:33]1=[O:34].[SH:58][c:59]1[n:60][c:61]([OH:68])[c:62]2[c:63]([n:64]1)[nH:65][cH:66][cH:67]2>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][CH2:16][C:17]2([CH:26]3[CH2:27][CH2:28][CH2:29][CH2:30]3)[CH2:18][C:19]([OH:25])=[C:20]([S:58][c:59]3[n:60][c:61]([OH:68])[c:62]4[c:63]([n:64]3)[nH:65][cH:66][cH:67]4)[C:21](=[O:23])[O:22]2)[cH:13][cH:14]1Participants
5
Sources & evidence
- ORD record
- ord-2332bd4b619c42138f7248207dc7acfc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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