Acetate → 4-(4-pyrimidin-2-yl-phenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester

HRID 156389Notes

Reaction equation

HRID 156389 reaction equation
[Br:32][c:33]1[n:34][cH:35][cH:36][cH:37][n:38]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([c:14]2[cH:15][cH:16][c:17]([Br:20])[cH:18][cH:19]2)=[CH:12][CH2:13]1.[C:26](=[O:27])([O-:28])[O-:29].[CH3:22][C:23](=[O:24])[O-:25].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[CH3:46][S:47]([CH3:48])=[O:49].[K+:21].[K+:30].[K+:31].[OH2:39]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([c:14]2[cH:15][cH:16][c:17](-[c:33]3[n:34][cH:35][cH:36][cH:37][n:38]3)[cH:18][cH:19]2)=[CH:12][CH2:13]1

Participants

9

Reactant 8

HCID 175AcetateHCID 679Dimethyl SulfoxideHCID 813Potassium Cation3×HCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 783452-BromopyrimidineHCID 54371851Tert-butyl 4-(4-bromophenyl)-3,6-dihydropyridine-1(2h)-carboxylate

Product 1

HCID 669397234-(4-pyrimidin-2-yl-phenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-b73360a85cd94e119d9b69975c8f45ce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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