Acetate → 4-(4-bromo-2-tert-butyl-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazol-5-yl)-N-(2-methoxypyridin-4-yl)pyrimidin-2-amine

HRID 122008

Reaction equation

HRID 122008 reaction equation
[Br:1][c:2]1[n:3][c:4]([C:22]([CH3:23])([CH3:24])[CH3:25])[n:5]([CH2:14][O:15][CH2:16][CH2:17][Si:18]([CH3:19])([CH3:20])[CH3:21])[c:6]1-[c:7]1[n:8][c:9]([Cl:13])[n:10][cH:11][cH:12]1.[C:35](=[O:36])([O-:37])[O-:38].[CH3:26][O:27][c:28]1[n:29][cH:30][cH:31][c:32]([NH2:34])[cH:33]1.[Cs+:39].[Cs+:40].[N:41]#[N:42].[O-:50][C:51]([CH3:52])=[O:53].[O-:54][C:55]([CH3:56])=[O:57].[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1.[Pd+2:49]>>[Br:1][c:2]1[n:3][c:4]([C:22]([CH3:23])([CH3:24])[CH3:25])[n:5]([CH2:14][O:15][CH2:16][CH2:17][Si:18]([CH3:19])([CH3:20])[CH3:21])[c:6]1-[c:7]1[n:8][c:9]([NH:34][c:32]2[cH:31][cH:30][n:29][c:28]([O:27][CH3:26])[cH:33]2)[n:10][cH:11][cH:12]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 947NitrogenHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2808912-Methoxypyridin-4-amineHCID 866514104-(4-bromo-2-tert-butyl-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazol-5-yl)-2-chloropyrimidine

Product 1

HCID 665912424-(4-bromo-2-tert-butyl-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazol-5-yl)-N-(2-methoxypyridin-4-yl)pyrimidin-2-amine

Sources & evidence

ORD record
ord-ecbdd429ddf14000ab06b551d9c59fe4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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