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-(2-methoxyethyl)-

HRID 1115950Notes

Reaction equation

HRID 1115950 reaction equation
[C:33](=[O:34])([O-:35])[O-:36].[CH3:39][O:40][CH2:41][CH2:42][Cl:43].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[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]([CH2:42][CH2:41][O:40][CH3:39])[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 123162-Chloroethyl methyl etherHCID 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 774440563H-1,2,4-Triazol-3-one, 4-[4-(5-benzofuranyl)phenyl]-5-[[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl]-2,4-dihydro-2-(2-methoxyethyl)-

Sources & evidence

ORD record
ord-ab636cf9c01a41a2b90337113d0ddcc1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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