Acetate → 4-Chloro-6-thiophen-2-yl-pyrimidine

HRID 187311Notes

Reaction equation

HRID 187311 reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[CH3:51][O:52][CH2:53][CH2:54][O:55][CH3:56].[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]([Cl:8])[cH:7]1.[Na+:40].[Na+:41].[O-:43][C:44]([CH3:45])=[O:46].[O-:47][C:48]([CH3:49])=[O:50].[Pd+2:42].[c:17]1([P:18]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:31][cH:32][cH:33][cH:34][cH:35]1.[s:9]1[c:10]([B:14]([OH:15])[OH:16])[cH:11][cH:12][cH:13]1>>[Cl:1][c:2]1[n:3][cH:4][n:5][c:6](-[c:10]2[s:9][cH:13][cH:12][cH:11]2)[cH:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 923Sodium ion2×HCID 80711,2-DimethoxyethaneHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 709434,6-DichloropyrimidineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27339602-Thiopheneboronic acid

Product 1

HCID 249021114-Chloro-6-thiophen-2-yl-pyrimidine

Sources & evidence

ORD record
ord-00accb5e71f94fc09a0ac3d0915b80e5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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