Ethyl Acetate → Chloride

HRID 1542650Notes

Reaction equation

HRID 1542650 reaction equation
[CH3:29][CH2:30][O:31][C:32]([CH3:33])=[O:34].[Cl:20][CH2:21][C:22](=[O:23])[c:24]1[s:25][cH:26][cH:27][cH:28]1.[N:1]12[CH2:2][CH2:3][C:4]([C:9](=[O:10])[O:11][CH2:12][c:13]3[cH:14][c:15]([F:19])[cH:16][cH:17][cH:18]3)([CH2:5][CH2:6]1)[CH2:7][CH2:8]2>>[Cl-:20].[N+:1]12([CH2:21][C:22](=[O:23])[c:24]3[s:25][cH:26][cH:27][cH:28]3)[CH2:2][CH2:3][C:4]([C:9](=[O:10])[O:11][CH2:12][c:13]3[cH:14][c:15]([F:19])[cH:16][cH:17][cH:18]3)([CH2:5][CH2:6]1)[CH2:7][CH2:8]2

Participants

5

Reactant 3

HCID 8857Ethyl AcetateHCID 27579252-(Chloroacetyl)thiopheneHCID 709257943-Fluorobenzyl quinuclidine-4-carboxylate

Product 2

HCID 312ChlorideHCID 86672955(3-Fluorophenyl)methyl 1-(2-oxo-2-thiophen-2-ylethyl)-1-azoniabicyclo[2.2.2]octane-4-carboxylate

Sources & evidence

ORD record
ord-16b36c4970ef4147ab2776b9c37c61b4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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