Sodium ion → 2,4-Dichlorophenyl 1-(3-pyridyl)-cyclopropyl ketone

HRID 1240095Notes

Reaction equation

HRID 1240095 reaction equation
[C:28]([OH:29])([CH3:30])([CH3:31])[CH3:32].[Cl:19][CH2:20][CH2:21][S+:22]([CH3:23])[CH3:24].[Cl:1][c:2]1[c:3]([C:9]([CH2:10][c:11]2[cH:12][n:13][cH:14][cH:15][cH:16]2)=[O:17])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1.[I-:18].[I-:26].[Na+:25].[OH2:27]>>[Cl:1][c:2]1[c:3]([C:9]([C:10]2([c:11]3[cH:12][n:13][cH:14][cH:15][cH:16]3)[CH2:20][CH2:21]2)=[O:17])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 6386tert-ButanolHCID 30165Iodide Ion2×HCID 3808023InChI=1/C4H10ClS/c1-6(2)4-3-5/h3-4H2,1-2H3/q+HCID 13488634Ethanone, 1-(2,4-dichlorophenyl)-2-(3-pyridinyl)-

Product 1

HCID 198170702,4-Dichlorophenyl 1-(3-pyridyl)-cyclopropyl ketone

Sources & evidence

ORD record
ord-75628899549b48b18f89287788392a51
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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