Bicarbonate Ion → tert-butyl 3-[[4-[4-(1-benzofuran-5-yl)phenyl]-5-oxo-1H-1,2,4-triazol-3-yl]methyl]pyrrolidine-1-carboxylate

HRID 102131Notes

Reaction equation

HRID 102131 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[c:9]([CH2:14][CH:15]3[CH2:16][N:17]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:18][CH2:19]3)[n:10][nH:11][c:12]2=[O:13])[cH:6][cH:7]1.[C:45](=[O:46])([OH:47])[O-:48].[CH2:50]1[O:51][CH2:52][CH2:53][O:54][CH2:55]1.[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.[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[Na+:49].[OH2:56]>>[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][cH:4][c:5](-[n:8]2[c:9]([CH2:14][CH:15]3[CH2:16][N:17]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:18][CH2:19]3)[n:10][nH:11][c:12]2=[O:13])[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 27951905-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzofuranHCID 71105988tert-butyl 3-[[4-(4-bromophenyl)-5-oxo-1H-1,2,4-triazol-3-yl]methyl]pyrrolidine-1-carboxylate

Product 1

HCID 178451859tert-butyl 3-[[4-[4-(1-benzofuran-5-yl)phenyl]-5-oxo-1H-1,2,4-triazol-3-yl]methyl]pyrrolidine-1-carboxylate

Sources & evidence

ORD record
ord-c950eb33d9a34f4c971a86fe6937e52f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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