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

HRID 214317Notes

Reaction equation

HRID 214317 reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[CH:19]1([NH:22][C:23](=[O:24])[c:25]2[c:26]3[c:27]([s:28][c:29]2[CH3:30])[cH:31][c:32]([OH:35])[cH:33][cH:34]3)[CH2:20][CH2:21]1.[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+:40].[Cs+:41]>>[c:2]1([O:35][c:32]2[cH:31][c:27]3[c:26]([c:25]([C:23]([NH:22][CH:19]4[CH2:20][CH2:21]4)=[O:24])[c:29]([CH3:30])[s:28]3)[cH:34][cH:33]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 20767913N-cyclopropyl-6-hydroxy-2-methylbenzo[b]thiophene-3-carboxamideHCID 22143479(7-Chloro-thieno[3,2-b]pyridin-2-yl)-(3-hydroxy-pyrrolidin-1-yl)-methanone

Product 1

HCID 178435025N-cyclopropyl-6-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide

Sources & evidence

ORD record
ord-b577d0229b2f4a24989757a3a86a1d34
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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