Hydrochloric Acid → 3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4-[2-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]-1H-1,2,4-triazol-5-one

HRID 288461Notes

Reaction equation

HRID 288461 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:45](=[O:46])([O-:47])[O-:48].[ClH:38].[F:26][c:27]1[cH:28][c:29]([B:34]([OH:35])[OH:36])[cH:30][cH:31][c:32]1[CH3:33].[K+:49].[K+:50].[O:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[OH2:37]>>[c:2]1(-[c:29]2[cH:28][c:27]([F:26])[c:32]([CH3:33])[cH:31][cH:30]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

8

Reactant 7

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 27826743-Fluoro-4-methylbenzeneboronic acidHCID 772751834-(4-bromo-2-fluorophenyl)-3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazol-5-one

Product 1

HCID 774440823-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4-[2-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]-1H-1,2,4-triazol-5-one

Sources & evidence

ORD record
ord-65951be416864d1db45e2e91727b90a6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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