Potassium Cation → 3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4-[2-fluoro-4-(8-fluoronaphthalen-2-yl)phenyl]-1H-1,2,4-triazol-5-one

HRID 1221305Notes

Reaction equation

HRID 1221305 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:46](=[O:47])([O-:48])[O-:49].[CH2:52]1[O:53][CH2:54][CH2:55][O:56][CH2:57]1.[F:26][c:27]1[cH:28][cH:29][cH:30][c:31]2[cH:32][cH:33][c:34]([B:37]3[O:38][C:39]([CH3:40])([CH3:41])[C:42]([CH3:43])([CH3:44])[O:45]3)[cH:35][c:36]12.[K+:50].[K+:51]>>[c:2]1(-[c:34]2[cH:33][cH:32][c:31]3[cH:30][cH:29][cH:28][c:27]([F:26])[c:36]3[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 67377102HCID 67377102, compoundHCID 772751834-(4-bromo-2-fluorophenyl)-3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazol-5-one

Product 1

HCID 774440913-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4-[2-fluoro-4-(8-fluoronaphthalen-2-yl)phenyl]-1H-1,2,4-triazol-5-one

Sources & evidence

ORD record
ord-17c971dacfe14d06b5d871aaa15d24ba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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