Chloride → 2-(2-Chloro-4-methoxy-phenyl)-1-(5-methyl-pyrazin-2-yl)-ethanone

Reaction equation

[CH2:1]([O:2][C:3](=[O:4])[CH:5]([C:6](=[O:7])[c:8]1[n:9][cH:10][c:11]([CH3:14])[n:12][cH:13]1)[c:15]1[c:16]([Cl:23])[cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]1)[CH3:24].[CH3:28][S:29]([CH3:30])=[O:31].[CH3:32][CH2:33][O:34][C:35](=[O:36])[CH3:37].[Cl-:26].[Na+:25].[OH2:27]>>[CH2:5]([C:6](=[O:7])[c:8]1[n:9][cH:10][c:11]([CH3:14])[n:12][cH:13]1)[c:15]1[c:16]([Cl:23])[cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]1

Participants

Reactant 6

HCID 312Chloride

HCID 679Dimethyl Sulfoxide

HCID 923Sodium Ion

HCID 962Water

HCID 8857Ethyl Acetate

HCID 666991002-(2-Chloro-4-methoxy-phenyl)-3-(5-methyl-pyrazin-2-yl)-3-oxo-propionic acid ethyl ester

Product 1

HCID 666991242-(2-Chloro-4-methoxy-phenyl)-1-(5-methyl-pyrazin-2-yl)-ethanone

Sources & evidence

ORD record: ord-490ea3342a1a48e284283577a7f2fd79
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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