Carbonate Ion → 2-ethyl-6-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzothiophene-3-carboxamide

HRID 212167Notes

Reaction equation

HRID 212167 reaction equation
[C:35](=[O:36])([O-:37])[O-:38].[CH3:19][NH:20][C:21](=[O:22])[c:23]1[c:24]2[c:25]([s:26][c:27]1[CH2:28][CH3:29])[cH:30][c:31]([OH:34])[cH:32][cH:33]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[CH2:14][CH:15]([OH:18])[CH2:16][CH2:17]1)[s:10]2.[Cs+:39].[Cs+:40]>>[c:2]1([O:34][c:31]2[cH:30][c:25]3[c:24]([c:23]([C:21]([NH:20][CH3:19])=[O:22])[c:27]([CH2:28][CH3:29])[s:26]3)[cH:33][cH:32]2)[c:3]2[c:4]([n:5][cH:6][cH:7]1)[cH:8][c:9]([C:11](=[O:12])[N:13]1[CH2:14][CH:15]([OH:18])[CH2:16][CH2:17]1)[s:10]2

Participants

5

Reactant 4

HCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 207677932-Ethyl-6-hydroxybenzo[b]thiophene-3-carboxylic acid methylamideHCID 22143479(7-Chloro-thieno[3,2-b]pyridin-2-yl)-(3-hydroxy-pyrrolidin-1-yl)-methanone

Product 1

HCID 1784382352-ethyl-6-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzothiophene-3-carboxamide

Sources & evidence

ORD record
ord-91faca819ad64b619eb5f86cef9e17a3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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