Acetate → 1-[5-(3-Chloro-5-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}phenyl)-1,3-thiazol-2-yl]cyclobutanol

HRID 2161357Notes

Reaction equation

HRID 2161357 reaction equation
[C:30](=[O:31])([O-:32])[O-:33].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[Cl:19][c:20]1[n:21][cH:22][cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[n:25]1.[Cs+:34].[Cs+:35].[NH2:1][c:2]1[cH:3][c:4](-[c:9]2[cH:10][n:11][c:12]([C:14]3([OH:18])[CH2:15][CH2:16][CH2:17]3)[s:13]2)[cH:5][c:6]([Cl:8])[cH:7]1.[O-:49][C:50]([CH3:51])=[O:52].[O-:53][C:54]([CH3:55])=[O:56].[O:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1.[Pd+2:48]>>[NH:1]([c:2]1[cH:3][c:4](-[c:9]2[cH:10][n:11][c:12]([C:14]3([OH:18])[CH2:15][CH2:16][CH2:17]3)[s:13]2)[cH:5][c:6]([Cl:8])[cH:7]1)[c:20]1[n:21][cH:22][cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[n:25]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27739122-Chloro-4-(trifluoromethyl)pyrimidineHCID 674320031-[5-(3-Amino-5-chlorophenyl)-1,3-thiazol-2-yl]cyclobutanol

Product 1

HCID 584563471-[5-(3-Chloro-5-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}phenyl)-1,3-thiazol-2-yl]cyclobutanol

Sources & evidence

ORD record
ord-3ddf904dcf0d4faeaf1f71af5029f4cc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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