Acetone → 10-chloro-2-(4-chlorophenyl)-5,6-dihydro-[1]benzothiepino[5,4-c]-pyridazin-3(2H)-one 7-oxide

HRID 144973

Reaction equation

HRID 144973 reaction equation
[Br:32][O-:33].[CH3:25][C:26]([CH3:27])=[O:28].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:7]1)-[c:8]1[n:9][n:10](-[c:18]3[cH:19][cH:20][c:21]([Cl:24])[cH:22][cH:23]3)[c:11](=[O:17])[cH:12][c:13]1[CH2:14][CH2:15][S:16]2.[Na+:34].[OH2:29].[OH2:30].[OH2:31].[OH2:35]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:7]1)-[c:8]1[n:9][n:10](-[c:18]3[cH:19][cH:20][c:21]([Cl:24])[cH:22][cH:23]3)[c:11](=[O:17])[cH:12][c:13]1[CH2:14][CH2:15][S:16]2=[O:28]

Participants

6

Reactant 5

HCID 180AcetoneHCID 923Sodium ionHCID 962Water4×HCID 5460626HypobromiteHCID 1457889410-chloro-2-(4-chlorophenyl)-5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3(2H)-one

Product 1

HCID 1457891410-chloro-2-(4-chlorophenyl)-5,6-dihydro-[1]benzothiepino[5,4-c]-pyridazin-3(2H)-one 7-oxide

Sources & evidence

ORD record
ord-37318eb7cc9e46cd98f0ed794ec47f66
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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