Chloride → 2-chloro-1-[3-(trifluoroacetyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl]ethanone

HRID 1131860Notes

Reaction equation

HRID 1131860 reaction equation
[Al+3:7].[Cl-:6].[Cl-:8].[Cl-:9].[Cl:1][CH2:2][C:3](=[O:4])[Cl:5].[Cl:28][CH:29]([Cl:30])[CH3:31].[ClH:27].[F:10][C:11]([C:12](=[O:13])[N:14]1[CH2:15][CH2:16][c:17]2[c:18]([cH:21][cH:22][cH:23][cH:24]2)[CH2:19][CH2:20]1)([F:25])[F:26]>>[Cl:1][CH2:2][C:3](=[O:4])[c:23]1[cH:22][cH:21][c:18]2[c:17]([cH:24]1)[CH2:16][CH2:15][N:14]([C:12]([C:11]([F:10])([F:25])[F:26])=[O:13])[CH2:20][CH2:19]2

Participants

7

Reactant 6

HCID 312Chloride3×HCID 313Hydrochloric AcidHCID 63651,1-DichloroethaneHCID 6577Chloroacetyl chlorideHCID 104727Aluminum CationHCID 218871391-(4,5-dihydro-1H-benzo[d]azepin-3(2H)-yl)-2,2,2-trifluoroethanone

Product 1

HCID 592398392-chloro-1-[3-(trifluoroacetyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl]ethanone

Sources & evidence

ORD record
ord-3dea202f750a4d53bec590a6ba24fd36
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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