Potassium Cation → 3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4-[4-(6-hydroxynaphthalen-2-yl)phenyl]-1H-1,2,4-triazol-5-one

HRID 1545471Notes

Reaction equation

HRID 1545471 reaction equation
[Br:1][c:2]1[cH:3][cH:4][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:39](=[O:40])([O-:41])[O-:42].[K+:43].[K+:44].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[OH:25][c:26]1[cH:27][c:28]2[cH:29][cH:30][c:31]([B:36]([OH:37])[OH:38])[cH:32][c:33]2[cH:34][cH:35]1>>[c:2]1(-[c:31]2[cH:30][cH:29][c:28]3[cH:27][c:26]([OH:25])[cH:35][cH:34][c:33]3[cH:32]2)[cH:3][cH:4][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 4349738(6-Hydroxynaphthalen-2-yl)boronic acidHCID 673542364-(4-bromophenyl)-3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazol-5-one

Product 1

HCID 673555203-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4-[4-(6-hydroxynaphthalen-2-yl)phenyl]-1H-1,2,4-triazol-5-one

Sources & evidence

ORD record
ord-497e2d1cb4304ea4855c23616f08351b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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