Acetate → 1-[2-({3-Methyl-5-[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]phenyl}amino)pyrimidin-4-yl]ethanone

HRID 2335667Notes

Reaction equation

HRID 2335667 reaction equation
[C:21](=[O:22])([O-:23])[O-:24].[Cl:27][c:28]1[n:29][cH:30][cH:31][c:32]([C:34]([CH3:35])=[O:36])[n:33]1.[Cs+:25].[Cs+:26].[NH2:1][c:2]1[cH:3][c:4](-[c:9]2[cH:10][n:11][c:12]([C:14]([C:15]([F:16])([F:17])[F:18])([CH3:19])[OH:20])[s:13]2)[cH:5][c:6]([CH3:8])[cH:7]1.[O-:38][C:39]([CH3:40])=[O:41].[O-:42][C:43]([CH3:44])=[O:45].[O:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1.[Pd+2:37]>>[NH:1]([c:2]1[cH:3][c:4](-[c:9]2[cH:10][n:11][c:12]([C:14]([C:15]([F:16])([F:17])[F:18])([CH3:19])[OH:20])[s:13]2)[cH:5][c:6]([CH3:8])[cH:7]1)[c:28]1[n:29][cH:30][cH:31][c:32]([C:34]([CH3:35])=[O:36])[n:33]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 446138781-(2-Chloropyrimidin-4-yl)ethanoneHCID 584561172-[5-(3-Amino-5-methylphenyl)-1,3-thiazol-2-yl]-1,1,1-trifluoropropan-2-ol

Product 1

HCID 584563541-[2-({3-Methyl-5-[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]phenyl}amino)pyrimidin-4-yl]ethanone

Sources & evidence

ORD record
ord-c7c5f7fdd2054ce1a40200e1a4660144
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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