Bicarbonate Ion → 2-{[[2-(1-Benzofuran-2-yl)-2-hydroxyethyl](methyl)amino]methyl}-N-(4-chlorobenzyl)-3-(hydroxymethyl)-4-methyl-7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxamide

HRID 1567602Notes

Reaction equation

HRID 1567602 reaction equation
[Cl:58][CH2:59][Cl:60].[Cl:61][CH:62]([Cl:63])[Cl:64].[F:51][C:52]([F:53])([F:54])[C:55]([OH:56])=[O:57].[Na+:50].[O-:46][C:47]([OH:48])=[O:49].[o:1]1[c:2]([CH:10]([CH2:11][N:12]([CH3:13])[CH2:14][c:15]2[c:16]([CH2:37][O:38][CH2:39][CH2:40][Si:41]([CH3:42])([CH3:43])[CH3:44])[c:17]3[n:18]([CH3:36])[cH:19][c:20]([C:25](=[O:26])[NH:27][CH2:28][c:29]4[cH:30][cH:31][c:32]([Cl:35])[cH:33][cH:34]4)[c:21](=[O:24])[c:22]3[s:23]2)[OH:45])[cH:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[o:1]1[c:2]([CH:10]([CH2:11][N:12]([CH3:13])[CH2:14][c:15]2[c:16]([CH2:37][OH:38])[c:17]3[n:18]([CH3:36])[cH:19][c:20]([C:25](=[O:26])[NH:27][CH2:28][c:29]4[cH:30][cH:31][c:32]([Cl:35])[cH:33][cH:34]4)[c:21](=[O:24])[c:22]3[s:23]2)[OH:45])[cH:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6212ChloroformHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 225743282-{[[2-(1-benzofuran-2-yl)-2-hydroxyethyl](methyl)amino]methyl}-N-(4-chlorobenzyl)-4-methyl-7-oxo-3-{[2-(trimethylsilyl)ethoxy]methyl}-4,7-dihydrothieno[3,2-b]pyridine-6-carboxamide

Product 1

HCID 225744082-{[[2-(1-Benzofuran-2-yl)-2-hydroxyethyl](methyl)amino]methyl}-N-(4-chlorobenzyl)-3-(hydroxymethyl)-4-methyl-7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxamide

Sources & evidence

ORD record
ord-b2d63840bafc480287ad18608e6fb9a6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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