Carbonate Ion → 2-Methyl-6-[2-(1-methyl-1H-imidazol-2-yl)-thieno[3,2-b]pyridin-7-yloxy]-benzofuran-3-carboxylic acid isobutyl amide

HRID 1206816Notes

Reaction equation

HRID 1206816 reaction equation
[C:35](=[O:36])([O-:37])[O-:38].[CH2:17]([CH:18]([CH3:19])[CH3:20])[NH:21][C:22](=[O:23])[c:24]1[c:25]([CH3:34])[o:26][c:27]2[c:28]1[cH:29][cH:30][c:31]([OH:33])[cH:32]2.[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][cH:7]1)[cH:8][c:9](-[c:11]1[n:12]([CH3:16])[cH:13][cH:14][n:15]1)[s:10]2.[Cs+:39].[Cs+:40]>>[c:2]1([O:33][c:31]2[cH:30][cH:29][c:28]3[c:24]([C:22]([NH:21][CH2:17][CH:18]([CH3:19])[CH3:20])=[O:23])[c:25]([CH3:34])[o:26][c:27]3[cH:32]2)[c:3]2[c:4]([n:5][cH:6][cH:7]1)[cH:8][c:9](-[c:11]1[n:12]([CH3:16])[cH:13][cH:14][n:15]1)[s:10]2

Participants

5

Reactant 4

HCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 207678656-Hydroxy-2-methyl-benzofuran-3-carboxylic acid isobutyl amideHCID 221435637-chloro-2-(1-methyl-1H-imidazol-2-yl)-thieno[3,2-b]pyridine

Product 1

HCID 207679242-Methyl-6-[2-(1-methyl-1H-imidazol-2-yl)-thieno[3,2-b]pyridin-7-yloxy]-benzofuran-3-carboxylic acid isobutyl amide

Sources & evidence

ORD record
ord-360dfd5e81694d8e89f348a98bc2ec78
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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