Bicarbonate Ion → 1-{5-[6-(4-Methylpyridin-2-ylamino)pyridin-2-yl]thiophen-2-yl}ethanone

HRID 213048

Reaction equation

HRID 213048 reaction equation
[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]([NH:8][c:9]2[n:10][cH:11][cH:12][c:13]([CH3:15])[cH:14]2)[n:7]1.[C:16]([CH3:17])(=[O:18])[c:19]1[cH:20][cH:21][c:22]([B:24]([OH:25])[OH:26])[s:23]1.[C:27](=[O:28])([O-:29])[OH:30].[CH2:34]([CH2:35][O:36][CH3:37])[O:38][CH3:39].[Na+:31].[OH2:32].[OH2:33]>>[c:2]1(-[c:22]2[cH:21][cH:20][c:19]([C:16]([CH3:17])=[O:18])[s:23]2)[cH:3][cH:4][cH:5][c:6]([NH:8][c:9]2[n:10][cH:11][cH:12][c:13]([CH3:15])[cH:14]2)[n:7]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962Water2×HCID 80711,2-DimethoxyethaneHCID 4143377(5-Acetylthiophen-2-yl)boronic acidHCID 58706668(6-Bromopyridin-2-yl)-(4-methylpyridin-2-yl)amine

Product 1

HCID 587068101-{5-[6-(4-Methylpyridin-2-ylamino)pyridin-2-yl]thiophen-2-yl}ethanone

Sources & evidence

ORD record
ord-1c7ddcf7299b41c38b714fddbf8a0d49
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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