Bicarbonate Ion → N-(4-Chlorobenzyl)-2-{[[2-(5-cyanothien-2-yl)-2-hydroxyethyl](methyl)amino]methyl}-3-(hydroxymethyl)-4-methyl-7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxamide

HRID 92314Notes

Reaction equation

HRID 92314 reaction equation
[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[c:11](=[O:41])[c:12]3[c:13]([n:14]([CH3:16])[cH:15]2)[c:17]([CH2:33][O:34][CH2:35][CH2:36][Si:37]([CH3:38])([CH3:39])[CH3:40])[c:18]([CH2:20][N:21]([CH3:22])[CH2:23][CH:24]([OH:25])[c:26]2[s:27][c:28]([C:31]#[N:32])[cH:29][cH:30]2)[s:19]3)[cH:42][cH:43]1.[Cl:56][CH2:57][Cl:58].[Cl:59][CH:60]([Cl:61])[Cl:62].[F:49][C:50]([F:51])([F:52])[C:53]([OH:54])=[O:55].[Na+:48].[O-:44][C:45]([OH:46])=[O:47]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[c:11](=[O:41])[c:12]3[c:13]([n:14]([CH3:16])[cH:15]2)[c:17]([CH2:33][OH:34])[c:18]([CH2:20][N:21]([CH3:22])[CH2:23][CH:24]([OH:25])[c:26]2[s:27][c:28]([C:31]#[N:32])[cH:29][cH:30]2)[s:19]3)[cH:42][cH:43]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6212ChloroformHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 22574299N-(4-chlorobenzyl)-2-{[[2-(5-cyanothien-2-yl)-2-hydroxyethyl](methyl)amino]methyl}-4-methyl-7-oxo-3-{[2-(trimethylsilyl)ethoxy]methyl}-4,7-dihydrothieno[3,2-b]pyridine-6-carboxamide

Product 1

HCID 22574405N-(4-Chlorobenzyl)-2-{[[2-(5-cyanothien-2-yl)-2-hydroxyethyl](methyl)amino]methyl}-3-(hydroxymethyl)-4-methyl-7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxamide

Sources & evidence

ORD record
ord-5ea78872e204497591280172e117aebe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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