Carbonate Ion → 2-Methyl-6-[2-(2-methoxymethyl-pyrrolidine-1-carbonyl)-thieno[3,2-b]pyridin-7-yloxy]-benzofuran-3-carboxylic acid isobutyl amide

HRID 1240918Notes

Reaction equation

HRID 1240918 reaction equation
[C:39](=[O:40])([O-:41])[O-:42].[CH2:21]([CH:22]([CH3:23])[CH3:24])[NH:25][C:26](=[O:27])[c:28]1[c:29]([CH3:38])[o:30][c:31]2[c:32]1[cH:33][cH:34][c:35]([OH:37])[cH:36]2.[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][cH:7]1)[cH:8][c:9]([C:11](=[O:12])[N:13]1[CH:14]([CH2:18][O:19][CH3:20])[CH2:15][CH2:16][CH2:17]1)[s:10]2.[Cs+:43].[Cs+:44]>>[c:2]1([O:37][c:35]2[cH:34][cH:33][c:32]3[c:28]([C:26]([NH:25][CH2:21][CH:22]([CH3:23])[CH3:24])=[O:27])[c:29]([CH3:38])[o:30][c:31]3[cH:36]2)[c:3]2[c:4]([n:5][cH:6][cH:7]1)[cH:8][c:9]([C:11](=[O:12])[N:13]1[CH:14]([CH2:18][O:19][CH3:20])[CH2:15][CH2:16][CH2:17]1)[s:10]2

Participants

5

Reactant 4

HCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 207678656-Hydroxy-2-methyl-benzofuran-3-carboxylic acid isobutyl amideHCID 22143587HCID 22143587, compound

Product 1

HCID 207679252-Methyl-6-[2-(2-methoxymethyl-pyrrolidine-1-carbonyl)-thieno[3,2-b]pyridin-7-yloxy]-benzofuran-3-carboxylic acid isobutyl amide

Sources & evidence

ORD record
ord-86d7203f25c14688b174ee8a2e38ecf7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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