1,2-Dichloroethane → 2,3,4,5-Tetrahydro-1-benzoxepin-5-one

HRID 157149

Reaction equation

HRID 157149 reaction equation
[Al+3:23].[Cl-:20].[Cl-:21].[Cl-:22].[Cl:14][C:15]([C:16]([Cl:17])=[O:18])=[O:19].[Cl:25][CH2:26][Cl:27].[Cl:28][CH2:29][CH2:30][Cl:31].[ClH:24].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][CH2:9][CH2:10][C:11](=[O:12])[OH:13].[O:32]=[CH:33][N:34]([CH3:35])[CH3:36]>>[O:1]1[c:2]2[cH:3][cH:4][cH:5][cH:6][c:7]2[C:11](=[O:13])[CH2:10][CH2:9][CH2:8]1

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 312Chloride3×HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 227414-Phenoxybutyric acidHCID 65578Oxalyl chlorideHCID 104727Aluminum Cation

Product 1

HCID 3155752,3,4,5-Tetrahydro-1-benzoxepin-5-one

Sources & evidence

ORD record
ord-b3b9906f7342469da152442f1a0a7aa1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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