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

HRID 203532Notes

Reaction equation

HRID 203532 reaction equation
[C:32](=[O:33])([O-:34])[O-:35].[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[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+:36].[Cs+:37].[NH2:12][c:13]1[cH:14][c:15](-[c:22]2[cH:23][n:24][c:25]([C:27]3([OH:31])[CH2:28][CH2:29][CH2:30]3)[s:26]2)[cH:16][c:17]([N+:19](=[O:20])[O-:21])[cH:18]1.[O-:45][C:46]([CH3:47])=[O:48].[O-:49][C:50]([CH3:51])=[O:52].[Pd+2:44]>>[c:2]1([NH:12][c:13]2[cH:14][c:15](-[c:22]3[cH:23][n:24][c:25]([C:27]4([OH:31])[CH2:28][CH2:29][CH2:30]4)[s:26]3)[cH:16][c:17]([N+:19](=[O:20])[O-:21])[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 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27739122-Chloro-4-(trifluoromethyl)pyrimidineHCID 584562421-[5-(3-Amino-5-nitrophenyl)-1,3-thiazol-2-yl]cyclobutanol

Product 1

HCID 584561051-[5-(3-Nitro-5-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}phenyl)-1,3-thiazol-2-yl]cyclobutanol

Sources & evidence

ORD record
ord-0c0198bd943e479d92d24b584da7f8f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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