Cyanide → tert-Butyl 7-cyano-1,2,4,5-tetrahydro-3H-benzo[d]azepine-3-carboxylate

HRID 694483Notes

Reaction equation

HRID 694483 reaction equation
[C-:38]#[N:39].[C-:41]#[N:42].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[c:12]([cH:15][cH:16][c:17]([O:19][S:20]([C:21]([F:22])([F:23])[F:24])(=[O:25])=[O:26])[cH:18]2)[CH2:13][CH2:14]1.[CH3:27][N:28]([CH3:29])[CH:30]=[O:31].[CH3:32][CH2:33][O:34][C:35](=[O:36])[CH3:37].[Zn+2:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[c:12]([cH:15][cH:16][c:17]([C:27]#[N:28])[cH:18]2)[CH2:13][CH2:14]1

Participants

6

Reactant 5

HCID 5975Cyanide2×HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 32051Zinc(2+)HCID 181732813-(tert-butoxycarbonyl)-7-trifluoromethylsulfonyloxy-2,3,4,5-tetrahydro-1H-3-benzazepine

Product 1

HCID 18173275tert-Butyl 7-cyano-1,2,4,5-tetrahydro-3H-benzo[d]azepine-3-carboxylate

Sources & evidence

ORD record
ord-7a4f6b8771ab4107874cb5603099d067
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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