Sodium ion → 4-[3-Chloro-2-(1-cyclohexyl-2-oxo-pyrrolidin-3-ylmethyl)-benzo[b]thiophen-6-yloxy]-butyric acid tert-butyl ester

HRID 1574650Notes

Reaction equation

HRID 1574650 reaction equation
[C:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30]([CH2:31][CH2:32][CH2:33][Br:34])=[O:35].[C:38](=[O:39])([O-:40])[O-:41].[Cl:1][c:2]1[c:3]2[c:4]([s:5][c:6]1[CH2:7][CH:8]1[C:9](=[O:19])[N:10]([CH:13]3[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]3)[CH2:11][CH2:12]1)[cH:20][c:21]([OH:24])[cH:22][cH:23]2.[Cs+:42].[Cs+:43].[I-:37].[Na+:36]>>[Cl:1][c:2]1[c:3]2[c:4]([s:5][c:6]1[CH2:7][CH:8]1[C:9](=[O:19])[N:10]([CH:13]3[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]3)[CH2:11][CH2:12]1)[cH:20][c:21]([O:24][CH2:33][CH2:32][CH2:31][C:30]([O:29][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:35])[cH:22][cH:23]2

Participants

7

Reactant 6

HCID 923Sodium ionHCID 19660Carbonate IonHCID 30165Iodide IonHCID 104967Cesium cation2×HCID 2757253tert-Butyl 4-bromobutanoateHCID 117103063-(3-Chloro-6-hydroxy-benzo[b]thiophen-2-ylmethyl)-1-cyclohexyl-pyrrolidin-2-one

Product 1

HCID 687734034-[3-Chloro-2-(1-cyclohexyl-2-oxo-pyrrolidin-3-ylmethyl)-benzo[b]thiophen-6-yloxy]-butyric acid tert-butyl ester

Sources & evidence

ORD record
ord-4c4c62ef793c4b7c88111f3da63507b6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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