5-chloro-2-[2-(5-chloro-2,4-dimethoxy-phenyl)ethyl]-2-cyclopentyl-4-hydroxy-3H-pyran-6-one → 5-[(4-amino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-2-cyclopentyl-4-hydroxy-2-[2-(4-methoxyphenyl)ethyl]-3H-pyran-6-one
Reaction equation
[CH3:12][c:13]1[cH:14][c:15]([CH3:16])[n:17]2[n:18][c:19]([SH:20])[n:21][c:22]2[n:23]1.[Cl:24][C:25]1=[C:30]([OH:31])[CH2:29][C:28]([CH:32]2[CH2:33][CH2:34][CH2:35][CH2:36]2)([CH2:37][CH2:38][c:39]2[cH:40][cH:41][c:42]([O:45][CH3:46])[cH:43][cH:44]2)[O:27][C:26]1=[O:47].[Cl:48][C:49]1=[C:73]([OH:74])[CH2:72][C:53]([CH2:54][CH2:55][c:56]2[cH:57][c:58]([Cl:59])[c:60]([O:61][CH3:62])[cH:63][c:64]2[O:65][CH3:66])([CH:67]2[CH2:68][CH2:69][CH2:70][CH2:71]2)[O:52][C:50]1=[O:51].[NH2:1][c:2]1[c:3]2[c:4]([n:5][c:6]([SH:8])[n:7]1)[nH:9][n:10][cH:11]2>>[NH2:1][c:2]1[c:3]2[c:4]([n:5][c:6]([S:8][C:25]3=[C:30]([OH:31])[CH2:29][C:28]([CH:32]4[CH2:33][CH2:34][CH2:35][CH2:36]4)([CH2:37][CH2:38][c:39]4[cH:40][cH:41][c:42]([O:45][CH3:46])[cH:43][cH:44]4)[O:27][C:26]3=[O:47])[n:7]1)[nH:9][n:10][cH:11]2Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-b7c3073e7376448abce921c28a8d5d10
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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