Potassium Cation → 4-[4-(1-benzofuran-5-yl)-2-fluorophenyl]-3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazol-5-one

HRID 2128219Notes

Reaction equation

HRID 2128219 reaction equation
[Br:1][c:2]1[cH:3][c:4]([F:25])[c:5](-[n:8]2[c:9](=[O:24])[nH:10][n:11][c:12]2[CH2:13][CH:14]2[CH2:15][N:16]([C:19](=[O:20])[CH:21]3[CH2:22][CH2:23]3)[CH2:17][CH2:18]2)[cH:6][cH:7]1.[C:44](=[O:45])([O-:46])[O-:47].[CH3:26][C:27]1([CH3:28])[C:29]([CH3:30])([CH3:31])[O:32][B:33]([c:34]2[cH:35][cH:36][c:37]3[c:38]([cH:39][cH:40][o:41]3)[cH:42]2)[O:43]1.[K+:48].[K+:49].[O:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1>>[c:2]1(-[c:34]2[cH:35][cH:36][c:37]3[c:38]([cH:39][cH:40][o:41]3)[cH:42]2)[cH:3][c:4]([F:25])[c:5](-[n:8]2[c:9](=[O:24])[nH:10][n:11][c:12]2[CH2:13][CH:14]2[CH2:15][N:16]([C:19](=[O:20])[CH:21]3[CH2:22][CH2:23]3)[CH2:17][CH2:18]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 27951905-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzofuranHCID 772751834-(4-bromo-2-fluorophenyl)-3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazol-5-one

Product 1

HCID 774441174-[4-(1-benzofuran-5-yl)-2-fluorophenyl]-3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazol-5-one

Sources & evidence

ORD record
ord-4695baf1f4fc4a848d4f9aa5aed8a989
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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