Ethyl Acetate → 4-[4-Fluoro-3-(1-methyl-1H-benzoimidazol-2-yl)-phenyl]-piperazine-1-carboxylic acid tert-butyl ester

HRID 1133670Notes

Reaction equation

HRID 1133670 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([F:18])[c:6](-[c:8]2[n:9][c:10]3[c:11]([n:12]2[CH3:13])[cH:14][cH:15][cH:16][cH:17]3)[cH:7]1.[C:19]([CH3:20])([CH3:21])([CH3:22])[O:23][C:24](=[O:25])[N:26]1[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]1.[C:32](=[O:33])([O-:34])[O-:35].[CH3:38][CH2:39][O:40][C:41]([CH3:42])=[O:43].[Cs+:36].[Cs+:37]>>[c:2]1([N:29]2[CH2:28][CH2:27][N:26]([C:24]([O:23][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:25])[CH2:31][CH2:30]2)[cH:3][cH:4][c:5]([F:18])[c:6](-[c:8]2[n:9][c:10]3[c:11]([n:12]2[CH3:13])[cH:14][cH:15][cH:16][cH:17]3)[cH:7]1

Participants

6

Reactant 5

HCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 143452tert-Butyl piperazine-1-carboxylateHCID 595681902-(5-Bromo-2-fluoro-phenyl)-1-methyl-1H-benzoimidazole

Product 1

HCID 686709934-[4-Fluoro-3-(1-methyl-1H-benzoimidazol-2-yl)-phenyl]-piperazine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-6030402cd0e344758cd9a296be50408e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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