Acetate → 2-[4-(5-Hydroxy-1-pentenyl)phenyl]-5-(ethoxy)pyrimidine

HRID 1538270Notes

Reaction equation

HRID 1538270 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][cH:10][c:11]([O:14][CH2:15][CH3:16])[cH:12][n:13]2)[cH:6][cH:7]1.[C:23](=[O:24])([OH:25])[O-:26].[C:47]([O-:48])(=[O:49])[CH3:50].[C:52]([O-:53])(=[O:54])[CH3:55].[CH2:17]([CH2:18][CH2:19][CH:20]=[CH2:21])[OH:22].[CH3:57][N:58]1[CH2:59][CH2:60][CH2:61][C:62]1=[O:63].[Na+:27].[OH2:56].[Pd+2:51].[c:28]1([P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[c:2]1([CH:21]=[CH:20][CH2:19][CH2:18][CH2:17][OH:22])[cH:3][cH:4][c:5](-[c:8]2[n:9][cH:10][c:11]([O:14][CH2:15][CH3:16])[cH:12][n:13]2)[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 11776TriphenylphosphineHCID 131814-Penten-1-OLHCID 13387N-methyl-2-pyrrolidoneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 190171162-(4-Bromophenyl)-5-ethoxypyrimidine

Product 1

HCID 540063702-[4-(5-Hydroxy-1-pentenyl)phenyl]-5-(ethoxy)pyrimidine

Sources & evidence

ORD record
ord-132121b8163b485a873d8ca287dc68c3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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