Acetate → 9-Dicyclopropylmethyl-8-ethyl-6-(6-methyl-2,3-dihydrobenzofuran-5-yl)purine

HRID 286746Notes

Reaction equation

HRID 286746 reaction equation
[CH3:1][c:2]1[cH:3][c:4]2[c:5]([cH:9][c:10]1[B:11]([OH:12])[OH:13])[CH2:6][CH2:7][O:8]2.[CH3:58][O:59][CH2:60][CH2:61][O:62][CH3:63].[Cl:14][c:15]1[c:16]2[n:17][c:18]([CH2:31][CH3:32])[n:19]([CH:24]([CH:25]3[CH2:26][CH2:27]3)[CH:28]3[CH2:29][CH2:30]3)[c:20]2[n:21][cH:22][n:23]1.[Na+:33].[Na+:34].[O-:35][C:36](=[O:37])[O-:38].[O-:65][C:66]([CH3:67])=[O:68].[O-:69][C:70]([CH3:71])=[O:72].[Pd+2:64].[c:39]1([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54][cH:55][cH:56][cH:57]1>>[CH3:1][c:2]1[cH:3][c:4]2[c:5]([cH:9][c:10]1-[c:15]1[c:16]3[n:17][c:18]([CH2:31][CH3:32])[n:19]([CH:24]([CH:25]4[CH2:26][CH2:27]4)[CH:28]4[CH2:29][CH2:30]4)[c:20]3[n:21][cH:22][n:23]1)[CH2:6][CH2:7][O:8]2

Participants

9

Reactant 8

HCID 175Acetate2×HCID 923Sodium ion2×HCID 80711,2-DimethoxyethaneHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 180016036-Methyl-2,3-dihydrobenzofuran-5-boronic acidHCID 221436956-Chloro-9-dicyclopropylmethyl-8-ethylpurine

Product 1

HCID 180015049-Dicyclopropylmethyl-8-ethyl-6-(6-methyl-2,3-dihydrobenzofuran-5-yl)purine

Sources & evidence

ORD record
ord-ffe4a327ca4641a88ccf0308150796d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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