Imidazole → 1-{3-Fluoro-4-[4-(5-imidazol-1-yl-2-morpholin-4-yl-benzoyl)-piperazin-1-yl]-phenyl}-ethanone

HRID 163239

Reaction equation

HRID 163239 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([N:26]2[CH2:27][CH2:28][O:29][CH2:30][CH2:31]2)[c:6]([C:7](=[O:8])[N:9]2[CH2:10][CH2:11][N:12]([c:15]3[c:16]([F:24])[cH:17][c:18]([C:21]([CH3:22])=[O:23])[cH:19][cH:20]3)[CH2:13][CH2:14]2)[cH:25]1.[C:37](=[O:38])([O-:39])[O-:40].[Cs+:41].[Cs+:42].[Cu:57][I:58].[O:59]1[CH2:60][CH2:61][O:62][CH2:63][CH2:64]1.[cH:43]1[cH:44][c:45]2[cH:46][cH:47][c:48]3[c:49]([c:50]2[n:51][cH:52]1)[n:53][cH:54][cH:55][cH:56]3.[nH:32]1[cH:33][n:34][cH:35][cH:36]1>>[c:2]1(-[n:32]2[cH:33][n:34][cH:35][cH:36]2)[cH:3][cH:4][c:5]([N:26]2[CH2:27][CH2:28][O:29][CH2:30][CH2:31]2)[c:6]([C:7](=[O:8])[N:9]2[CH2:10][CH2:11][N:12]([c:15]3[c:16]([F:24])[cH:17][c:18]([C:21]([CH3:22])=[O:23])[cH:19][cH:20]3)[CH2:13][CH2:14]2)[cH:25]1

Participants

8

Reactant 7

HCID 795ImidazoleHCID 13181,10-PhenanthrolineHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 445805131-(4-(4-(5-Bromo-2-morpholinobenzoyl)piperazin-1-yl)-3-fluorophenyl)ethanone

Product 1

HCID 597936961-{3-Fluoro-4-[4-(5-imidazol-1-yl-2-morpholin-4-yl-benzoyl)-piperazin-1-yl]-phenyl}-ethanone

Sources & evidence

ORD record
ord-ca57f247be654dfdb1c46219099fe244
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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