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

HRID 320841Notes

Reaction equation

HRID 320841 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:36](=[O:37])([O-:38])[O-:39].[K+:40].[K+:41].[O:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1.[OH:26][B:27]([OH:28])[c:29]1[cH:30][cH:31][c:32]([F:33])[cH:34][cH:35]1>>[c:2]1(-[c:29]2[cH:30][cH:31][c:32]([F:33])[cH:34][cH:35]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 2856454-Fluorophenylboronic acidHCID 772751834-(4-bromo-2-fluorophenyl)-3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazol-5-one

Product 1

HCID 1785192533-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4-[2-fluoro-4-(4-fluorophenyl)phenyl]-1H-1,2,4-triazol-5-one

Sources & evidence

ORD record
ord-c93052da969a41f7806cd55496acd3b3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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