Potassium Cation → tert-butyl 4-[3-[(4-fluorobenzoyl)amino]-2-hydroxy-2,3-dihydro-1H-inden-5-yl]-3-oxopiperazine-1-carboxylate

HRID 213946Notes

Reaction equation

HRID 213946 reaction equation
[C:22](=[O:23])([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[N:29]1[CH2:30][C:31](=[O:35])[NH:32][CH2:33][CH2:34]1.[C:36](=[O:37])([O-:38])[O-:39].[CH3:42][N:43]1[CH2:44][CH2:45][CH2:46][C:47]1=[O:48].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[Cu:55][I:56].[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[NH:8][CH:9]2[CH:10]([OH:19])[CH2:11][c:12]3[cH:13][cH:14][c:15]([I:18])[cH:16][c:17]32)[cH:20][cH:21]1.[K+:40].[K+:41]>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[NH:8][CH:9]2[CH:10]([OH:19])[CH2:11][c:12]3[cH:13][cH:14][c:15]([N:32]4[C:31](=[O:35])[CH2:30][N:29]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:34][CH2:33]4)[cH:16][c:17]32)[cH:20][cH:21]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 8857Ethyl AcetateHCID 13387N-methyl-2-pyrrolidoneHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 3157178Tert-butyl 3-oxopiperazine-1-carboxylateHCID 772589124-fluoro-N-(2-hydroxy-6-iodo-2,3-dihydro-1H-inden-1-yl)benzamide

Product 1

HCID 77259023tert-butyl 4-[3-[(4-fluorobenzoyl)amino]-2-hydroxy-2,3-dihydro-1H-inden-5-yl]-3-oxopiperazine-1-carboxylate

Sources & evidence

ORD record
ord-f9ad21cba7a046ae80b51c28e033f115
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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