Acetate → 2-(4-Thiophen-2-yl-phenyl)-5-methyl-4-oxazoleethanol

HRID 164508Notes

Reaction equation

HRID 164508 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]([CH3:16])[c:11]([CH2:13][CH2:14][OH:15])[n:12]2)[cH:6][cH:7]1.[C:44](=[O:45])([O-:46])[O-:47].[C:54]([O-:55])(=[O:56])[CH3:57].[C:59]([O-:60])(=[O:61])[CH3:62].[CH2:50]([OH:51])[CH2:52][CH3:53].[Na+:48].[Na+:49].[Pd+2:58].[c:25]1([P:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:39][cH:40][cH:41][cH:42][cH:43]1.[s:17]1[c:18]([B:22]([OH:23])[OH:24])[cH:19][cH:20][cH:21]1>>[c:2]1(-[c:18]2[s:17][cH:21][cH:20][cH:19]2)[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]([CH3:16])[c:11]([CH2:13][CH2:14][OH:15])[n:12]2)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 923Sodium ion2×HCID 10311-PropanolHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27339602-Thiopheneboronic acidHCID 108805302-(2-(4-Bromophenyl)-5-methyloxazol-4-YL)ethanol

Product 1

HCID 210842832-(4-Thiophen-2-yl-phenyl)-5-methyl-4-oxazoleethanol

Sources & evidence

ORD record
ord-4c8c6ac484964eaf9e2fe551392ef96c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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