Carbonate Ion → 6-[2-(Azetidine-1-carbonyl)-thieno[3,2-b]pyridin-7-yloxy]-2-ethyl-benzofuran-3-carboxylic acid methylamide

HRID 102533Notes

Reaction equation

HRID 102533 reaction equation
[C:33](=[O:34])([O-:35])[O-:36].[CH3:17][NH:18][C:19](=[O:20])[c:21]1[c:22]2[c:23]([o:24][c:25]1[CH2:26][CH3:27])[cH:28][c:29]([OH:32])[cH:30][cH:31]2.[Cs+:37].[Cs+:38].[N:1]1([C:5](=[O:6])[c:7]2[cH:8][c:9]3[n:10][cH:11][cH:12][c:13]([Cl:16])[c:14]3[s:15]2)[CH2:2][CH2:3][CH2:4]1>>[N:1]1([C:5](=[O:6])[c:7]2[cH:8][c:9]3[n:10][cH:11][cH:12][c:13]([O:32][c:29]4[cH:28][c:23]5[c:22]([c:21]([C:19]([NH:18][CH3:17])=[O:20])[c:25]([CH2:26][CH3:27])[o:24]5)[cH:31][cH:30]4)[c:14]3[s:15]2)[CH2:2][CH2:3][CH2:4]1

Participants

5

Reactant 4

HCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 207677922-ethyl-6-hydroxy-N-methylbenzofuran-3-carboxamideHCID 221435492-(Azetidin-1-ylcarbonyl)-7-chlorothieno[3,2-b]pyridine

Product 1

HCID 207678526-[2-(Azetidine-1-carbonyl)-thieno[3,2-b]pyridin-7-yloxy]-2-ethyl-benzofuran-3-carboxylic acid methylamide

Sources & evidence

ORD record
ord-3db62c815f954f2ba972b3694cce1e8a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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