Potassium Cation → 1H-1,2,4-Triazole-1-acetonitrile, 4-[4-(5-benzofuranyl)phenyl]-3-[[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl]-4,5-dihydro-5-oxo-

HRID 694522Notes

Reaction equation

HRID 694522 reaction equation
[C:33](=[O:34])([O-:35])[O-:36].[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[Cl:39][CH2:40][C:41]#[N:42].[K+:37].[K+:38].[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]([CH2:40][C:41]#[N: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

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 7856ChloroacetonitrileHCID 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 760259501H-1,2,4-Triazole-1-acetonitrile, 4-[4-(5-benzofuranyl)phenyl]-3-[[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl]-4,5-dihydro-5-oxo-

Sources & evidence

ORD record
ord-3b1d01adabcc49ca8905a2970f72686b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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