1,2-Dichloroethane → 5-Chloro-1-[3-(trifluoroacetyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl]-1-pentanone

HRID 296398Notes

Reaction equation

HRID 296398 reaction equation
[Al+3:2].[Cl-:1].[Cl-:3].[Cl-:4].[Cl:22][CH2:23][CH2:24][CH2:25][CH2:26][C:27](=[O:28])[Cl:29].[Cl:30][CH2:31][CH2:32][Cl:33].[F:5][C:6]([C:7](=[O:8])[N:9]1[CH2:10][CH2:11][c:12]2[c:13]([cH:16][cH:17][cH:18][cH:19]2)[CH2:14][CH2:15]1)([F:20])[F:21]>>[F:5][C:6]([C:7](=[O:8])[N:9]1[CH2:10][CH2:11][c:12]2[c:13]([cH:16][cH:17][c:18]([C:27]([CH2:26][CH2:25][CH2:24][CH2:23][Cl:22])=[O:28])[cH:19]2)[CH2:14][CH2:15]1)([F:20])[F:21]

Participants

6

Reactant 5

HCID 111,2-DichloroethaneHCID 312Chloride3×HCID 740895-Chlorovaleryl chlorideHCID 104727Aluminum CationHCID 218871391-(4,5-dihydro-1H-benzo[d]azepin-3(2H)-yl)-2,2,2-trifluoroethanone

Product 1

HCID 218873015-Chloro-1-[3-(trifluoroacetyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl]-1-pentanone

Sources & evidence

ORD record
ord-c0e5bb425ed940c0945e6d246d98223f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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