Isopropanol → 2-[6-[[3-(4-chlorophenyl)-2-bicyclo[2.2.2]octanyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Reaction equation
[CH3:36][N:37]([CH3:38])[CH:39]=[O:40].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH:41]([OH:42])([CH3:43])[CH3:44].[Cl:1][c:2]1[c:3]2[n:4][cH:5][n:6]([CH:11]3[CH:12]([OH:13])[CH:14]([OH:15])[CH:16]([CH2:18][OH:19])[O:17]3)[c:7]2[n:8][cH:9][n:10]1.[NH2:20][CH:21]1[CH:22]2[CH2:23][CH2:24][CH:25]([CH:26]1[c:27]1[cH:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]1)[CH2:34][CH2:35]2>>[c:2]1([NH:20][CH:21]2[CH:22]3[CH2:23][CH2:24][CH:25]([CH:26]2[c:27]2[cH:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]2)[CH2:34][CH2:35]3)[c:3]2[n:4][cH:5][n:6]([CH:11]3[CH:12]([OH:13])[CH:14]([OH:15])[CH:16]([CH2:18][OH:19])[O:17]3)[c:7]2[n:8][cH:9][n:10]1Participants
6
Sources & evidence
- ORD record
- ord-b91bcb8b586d47de9de44ddd4d5513f2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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