Acetate → 2-Chloro-4-(7-chlorobenzo[b]thiophen-2-yl)pyrimidine

HRID 670011Notes

Reaction equation

HRID 670011 reaction equation
[B:11]([O:12][CH:13]([CH3:14])[CH3:15])([O:16][CH:17]([CH3:18])[CH3:19])[O:20][CH:21]([CH3:22])[CH3:23].[C:37](=[O:38])([O-:39])[O-:40].[C:48]([O-:49])(=[O:50])[CH3:51].[C:53]([O-:54])(=[O:55])[CH3:56].[CH2:24]([Li:25])[CH2:26][CH2:27][CH3:28].[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]1[s:8][cH:9][cH:10]2.[Cl:29][c:30]1[n:31][cH:32][cH:33][c:34]([Cl:36])[n:35]1.[Na+:41].[Na+:42].[Pd+2:52]>>[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]1[s:8][c:9](-[c:34]1[cH:33][cH:32][n:31][c:30]([Cl:29])[n:35]1)[cH:10]2

Participants

10

Reactant 9

HCID 175Acetate2×HCID 923Sodium ion2×HCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 21531Triisopropyl borateHCID 775312,4-DichloropyrimidineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 110628127-Chloro-1-benzothiopheneHCID 178418339Butyllithium

Product 1

HCID 866253732-Chloro-4-(7-chlorobenzo[b]thiophen-2-yl)pyrimidine

Sources & evidence

ORD record
ord-96563596937944a2b0ebe441a6e34278
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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