Carbonate Ion → 4-[4-(1-benzofuran-5-yl)-2-chloro-6-fluorophenyl]-3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazol-5-one

HRID 194425Notes

Reaction equation

HRID 194425 reaction equation
[Br:1][c:2]1[cH:3][c:4]([Cl:26])[c:5](-[n:9]2[c:10](=[O:25])[nH:11][n:12][c:13]2[CH2:14][CH:15]2[CH2:16][N:17]([C:20](=[O:21])[CH:22]3[CH2:23][CH2:24]3)[CH2:18][CH2:19]2)[c:6]([F:8])[cH:7]1.[C:45](=[O:46])([O-:47])[O-:48].[CH3:27][C:28]1([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33][B:34]([c:35]2[cH:36][cH:37][c:38]3[c:39]([cH:40][cH:41][o:42]3)[cH:43]2)[O:44]1.[Cs+:49].[Cs+:50]>>[c:2]1(-[c:35]2[cH:36][cH:37][c:38]3[c:39]([cH:40][cH:41][o:42]3)[cH:43]2)[cH:3][c:4]([Cl:26])[c:5](-[n:9]2[c:10](=[O:25])[nH:11][n:12][c:13]2[CH2:14][CH:15]2[CH2:16][N:17]([C:20](=[O:21])[CH:22]3[CH2:23][CH2:24]3)[CH2:18][CH2:19]2)[c:6]([F:8])[cH:7]1

Participants

5

Reactant 4

HCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 27951905-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzofuranHCID 1785192554-(4-bromo-2-chloro-6-fluorophenyl)-3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazol-5-one

Product 1

HCID 780055724-[4-(1-benzofuran-5-yl)-2-chloro-6-fluorophenyl]-3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazol-5-one

Sources & evidence

ORD record
ord-a5cb24d5a043446bb5d49c91995ab823
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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