Potassium Cation → 3-[(1-acetylpyrrolidin-3-yl)methyl]-4-(4-quinolin-7-ylphenyl)-1H-1,2,4-triazol-5-one

HRID 321094Notes

Reaction equation

HRID 321094 reaction equation
[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH:6]([CH2:9][c:10]2[n:11](-[c:16]3[cH:17][cH:18][c:19]([Br:22])[cH:20][cH:21]3)[c:12](=[O:15])[nH:13][n:14]2)[CH2:7][CH2:8]1.[C:42](=[O:43])([O-:44])[O-:45].[CH3:23][C:24]1([CH3:25])[C:26]([CH3:27])([CH3:28])[O:29][B:30]([c:31]2[cH:32][cH:33][c:34]3[cH:35][cH:36][cH:37][n:38][c:39]3[cH:40]2)[O:41]1.[K+:46].[K+:47].[O:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH:6]([CH2:9][c:10]2[n:11](-[c:16]3[cH:17][cH:18][c:19](-[c:31]4[cH:32][cH:33][c:34]5[cH:35][cH:36][cH:37][n:38][c:39]5[cH:40]4)[cH:20][cH:21]3)[c:12](=[O:15])[nH:13][n:14]2)[CH2:7][CH2:8]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 592961167-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)QuinolineHCID 178473803HCID 178473803, compound

Product 1

HCID 673540793-[(1-acetylpyrrolidin-3-yl)methyl]-4-(4-quinolin-7-ylphenyl)-1H-1,2,4-triazol-5-one

Sources & evidence

ORD record
ord-e8bcd5443d8f4d42b769da510ec77827
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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