Acetate → 2-[4-(3-Acetoxy-1-butenyl)phenyl]-5-ethoxypyrimidine

HRID 679729Notes

Reaction equation

HRID 679729 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:17]([CH3:18])(=[O:19])[O:20][CH:21]([CH3:22])[CH:23]=[CH2:24].[C:25]([NH2:26])([CH3:27])([CH3:28])[CH3:29].[CH3:58][N:59]1[CH2:60][CH2:61][CH2:62][C:63]1=[O:64].[O-:50][C:51]([CH3:52])=[O:53].[O-:54][C:55]([CH3:56])=[O:57].[Pd+2:49].[c:30]1([P:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[c:2]1([CH:24]=[CH:23][CH:21]([O:20][C:17]([CH3:18])=[O:19])[CH3:22])[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

8

Reactant 7

HCID 175Acetate2×HCID 6385Tert-ButylamineHCID 11776TriphenylphosphineHCID 13387N-methyl-2-pyrrolidoneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 1388211-Methylallyl acetateHCID 190171162-(4-Bromophenyl)-5-ethoxypyrimidine

Product 1

HCID 538992342-[4-(3-Acetoxy-1-butenyl)phenyl]-5-ethoxypyrimidine

Sources & evidence

ORD record
ord-d65640931a504a2cb2b779bd86f860bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…