Acetate → Tert-butyl 4-{1-hydroxy-1-[5-(3-{[4-(trifluoromethyl)-pyrimidin-2-yl]amino}phenyl)-1,3-thiazol-2-yl]ethyl}piperidine-1-carboxylate

HRID 1133254Notes

Reaction equation

HRID 1133254 reaction equation
[C:40](=[O:41])([O-:42])[O-:43].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[n:7]1.[Cs+:44].[Cs+:45].[NH2:12][c:13]1[cH:14][c:15](-[c:19]2[cH:20][n:21][c:22]([C:24]([CH3:25])([OH:26])[CH:27]3[CH2:28][CH2:29][N:30]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:31][CH2:32]3)[s:23]2)[cH:16][cH:17][cH:18]1.[O-:53][C:54]([CH3:55])=[O:56].[O-:57][C:58]([CH3:59])=[O:60].[O:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1.[Pd+2:52]>>[c:2]1([NH:12][c:13]2[cH:14][c:15](-[c:19]3[cH:20][n:21][c:22]([C:24]([CH3:25])([OH:26])[CH:27]4[CH2:28][CH2:29][N:30]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:31][CH2:32]4)[s:23]3)[cH:16][cH:17][cH:18]2)[n:3][cH:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[n:7]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 27739122-Chloro-4-(trifluoromethyl)pyrimidineHCID 67433207Tert-butyl 4-(1-[5-(3-aminophenyl)-1,3-thiazol-2-yl]-1-hydroxyethyl)piperidine-1-carboxylate

Product 1

HCID 67431059Tert-butyl 4-{1-hydroxy-1-[5-(3-{[4-(trifluoromethyl)-pyrimidin-2-yl]amino}phenyl)-1,3-thiazol-2-yl]ethyl}piperidine-1-carboxylate

Sources & evidence

ORD record
ord-0a54878d864d4ada814276e9d93c51ad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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