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

HRID 190944Notes

Reaction equation

HRID 190944 reaction equation
[Br:33][c:34]1[cH:35][cH:36][c:37](-[n:40]2[cH:41][cH:42][cH:43][cH:44]2)[cH:38][cH:39]1.[C:45](=[O:46])([O-:47])[O-:48].[CH:1]1([C:4](=[O:5])[N:6]2[CH2:7][CH:8]([CH2:11][c:12]3[n:13](-[c:18]4[cH:19][cH:20][c:21]([B:24]5[O:25][C:26]([CH3:27])([CH3:28])[C:29]([CH3:30])([CH3:31])[O:32]5)[cH:22][cH:23]4)[c:14](=[O:17])[nH:15][n:16]3)[CH2:9][CH2:10]2)[CH2:2][CH2:3]1.[K+:49].[K+:50].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1>>[CH:1]1([C:4](=[O:5])[N:6]2[CH2:7][CH:8]([CH2:11][c:12]3[n:13](-[c:18]4[cH:19][cH:20][c:21](-[c:34]5[cH:35][cH:36][c:37](-[n:40]6[cH:41][cH:42][cH:43][cH:44]6)[cH:38][cH:39]5)[cH:22][cH:23]4)[c:14](=[O:17])[nH:15][n:16]3)[CH2:9][CH2:10]2)[CH2:2][CH2:3]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 2724351-(4-bromophenyl)-1H-pyrroleHCID 178431076HCID 178431076, compound

Product 1

HCID 774441223-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4-[4-(4-pyrrol-1-ylphenyl)phenyl]-1H-1,2,4-triazol-5-one

Sources & evidence

ORD record
ord-dc6bc791396a49d3856b3c2caad80295
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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