Potassium Cation → 3H-1,2,4-Triazol-3-one, 4-[4-(5-benzofuranyl)phenyl]-5-[[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl]-2,4-dihydro-2-(1-methylethyl)-

HRID 1569468Notes

Reaction equation

HRID 1569468 reaction equation
[C:33](=[O:34])([O-:35])[O-:36].[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[Cl:43][CH2:44][Cl:45].[I:39][CH:40]([CH3:41])[CH3:42].[K+:37].[K+:38].[OH2:51].[o:1]1[cH:2][cH:3][c:4]2[c:5]1[cH:6][cH:7][c:8](-[c:10]1[cH:11][cH:12][c:13](-[n:16]3[c:17](=[O:32])[nH:18][n:19][c:20]3[CH2:21][CH:22]3[CH2:23][N:24]([C:27](=[O:28])[CH:29]4[CH2:30][CH2:31]4)[CH2:25][CH2:26]3)[cH:14][cH:15]1)[cH:9]2>>[o:1]1[cH:2][cH:3][c:4]2[c:5]1[cH:6][cH:7][c:8](-[c:10]1[cH:11][cH:12][c:13](-[n:16]3[c:17](=[O:32])[n:18]([CH:40]([CH3:41])[CH3:42])[n:19][c:20]3[CH2:21][CH:22]3[CH2:23][N:24]([C:27](=[O:28])[CH:29]4[CH2:30][CH2:31]4)[CH2:25][CH2:26]3)[cH:14][cH:15]1)[cH:9]2

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 6362Isopropyl iodideHCID 19660Carbonate IonHCID 772752594-[4-(1-benzofuran-5-yl)phenyl]-3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazol-5-one

Product 1

HCID 774442123H-1,2,4-Triazol-3-one, 4-[4-(5-benzofuranyl)phenyl]-5-[[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl]-2,4-dihydro-2-(1-methylethyl)-

Sources & evidence

ORD record
ord-344104c6522f4cb1b31aef6428b5e168
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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