Acetate → [4-[2-[2-(2-Methylpyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]phenyl]methanol

HRID 89425

Reaction equation

HRID 89425 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:7][c:8]([CH2:10][CH2:11][N:12]3[CH:13]([CH3:17])[CH2:14][CH2:15][CH2:16]3)[o:9]2)[cH:18]1.[C:30](=[O:31])([O-:32])[O-:33].[CH3:42][CH2:43][OH:44].[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[Na+:34].[Na+:35].[O-:52][C:53]([CH3:54])=[O:55].[O-:56][C:57]([CH3:58])=[O:59].[OH:19][CH2:20][c:21]1[cH:22][cH:23][c:24]([B:27]([OH:28])[OH:29])[cH:25][cH:26]1.[Pd+2:51].[cH:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[c:2]1(-[c:24]2[cH:23][cH:22][c:21]([CH2:20][OH:19])[cH:26][cH:25]2)[cH:3][cH:4][c:5]2[c:6]([cH:7][c:8]([CH2:10][CH2:11][N:12]3[CH:13]([CH3:17])[CH2:14][CH2:15][CH2:16]3)[o:9]2)[cH:18]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 241BenzeneHCID 702EthanolHCID 923Sodium ion2×HCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27347064-(Hydroxymethyl)benzeneboronic acidHCID 222745471-[2-(5-Bromo-1-benzofuran-2-yl)ethyl]-2-methylpyrrolidine

Product 1

HCID 22274596[4-[2-[2-(2-Methylpyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]phenyl]methanol

Sources & evidence

ORD record
ord-9ff539eb0af949b4a941f9985a91d0bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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