Ethanol → [4-[6-(2,3-dihydro-1H-inden-1-ylamino)purin-9-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methanol

HRID 2344425Notes

Reaction equation

HRID 2344425 reaction equation
[CH3:33][CH2:34][OH:35].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[Cl:1][c:2]1[c:3]2[n:4][cH:5][n:6]([CH:11]3[CH2:12][CH:13]([CH2:21][OH:22])[CH:14]4[CH:15]3[O:16][C:17]([CH3:19])([CH3:20])[O:18]4)[c:7]2[n:8][cH:9][n:10]1.[NH2:23][CH:24]1[CH2:25][CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]21>>[c:2]1([NH:23][CH:24]2[CH2:25][CH2:26][c:27]3[cH:28][cH:29][cH:30][cH:31][c:32]32)[c:3]2[n:4][cH:5][n:6]([CH:11]3[CH2:12][CH:13]([CH2:21][OH:22])[CH:14]4[CH:15]3[O:16][C:17]([CH3:19])([CH3:20])[O:18]4)[c:7]2[n:8][cH:9][n:10]1

Participants

5

Reactant 4

HCID 702EthanolHCID 8471TriethylamineHCID 123445(+-)-1-AminoindanHCID 18725685[4-(6-chloropurin-9-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methanol

Product 1

HCID 67164592[4-[6-(2,3-dihydro-1H-inden-1-ylamino)purin-9-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methanol

Sources & evidence

ORD record
ord-5f723035f94c4d019ed945ec3bf5b5f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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