5-chloro-2-[2-(5-chloro-2,4-dimethoxy-phenyl)ethyl]-2-cyclopentyl-4-hydroxy-3H-pyran-6-one → 2-cyclopentyl-4-hydroxy-5-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-2-[2-(4-methoxyphenyl)ethyl]-3H-pyran-6-one
Reaction equation
[CH3:14][c:15]1[cH:16][c:17]([CH3:18])[n:19]2[n:20][c:21]([SH:22])[n:23][c:24]2[n:25]1.[Cl:26][C:27]1=[C:32]([OH:33])[CH2:31][C:30]([CH:34]2[CH2:35][CH2:36][CH2:37][CH2:38]2)([CH2:39][CH2:40][c:41]2[cH:42][cH:43][c:44]([O:47][CH3:48])[cH:45][cH:46]2)[O:29][C:28]1=[O:49].[Cl:50][C:51]1=[C:75]([OH:76])[CH2:74][C:55]([CH2:56][CH2:57][c:58]2[cH:59][c:60]([Cl:61])[c:62]([O:63][CH3:64])[cH:65][c:66]2[O:67][CH3:68])([CH:69]2[CH2:70][CH2:71][CH2:72][CH2:73]2)[O:54][C:52]1=[O:53].[OH:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][n:10][n:11][c:12]2[SH:13])[cH:6][cH:7]1>>[OH:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][n:10][n:11][c:12]2[S:13][C:27]2=[C:32]([OH:33])[CH2:31][C:30]([CH:34]3[CH2:35][CH2:36][CH2:37][CH2:38]3)([CH2:39][CH2:40][c:41]3[cH:42][cH:43][c:44]([O:47][CH3:48])[cH:45][cH:46]3)[O:29][C:28]2=[O:49])[cH:6][cH:7]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-aee55eb9e7744e3794310ea4051d9ab1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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