Water → 3-[(2-amino-7H-purin-6-yl)sulfanyl]-6-[2-(5-chloro-2,4-dimethoxyphenyl)ethyl]-6-cyclopentyloxane-2,4-dione
Reaction equation
[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[Cl:1][C:2]1=[C:7]([OH:8])[CH2:6][C:5]([CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13]2)([CH2:14][CH2:15][c:16]2[c:17]([O:25][CH3:26])[cH:18][c:19]([O:23][CH3:24])[c:20]([Cl:22])[cH:21]2)[O:4][C:3]1=[O:27].[NH2:28][c:29]1[n:30][c:31]([SH:38])[c:32]2[n:33][cH:34][nH:35][c:36]2[n:37]1.[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH2:46]>>[CH:2]1([S:38][c:31]2[n:30][c:29]([NH2:28])[n:37][c:36]3[c:32]2[nH:33][cH:34][n:35]3)[C:3](=[O:27])[O:4][C:5]([CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13]2)([CH2:14][CH2:15][c:16]2[c:17]([O:25][CH3:26])[cH:18][c:19]([O:23][CH3:24])[c:20]([Cl:22])[cH:21]2)[CH2:6][C:7]1=[O:8]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-3eee5d87429b439f8295fbe48dd11304
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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