Potassium Cation → tert-Butyl 4-(4-nitrophenyl)-1,4-diazepane-1-carboxylate

HRID 692437Notes

Reaction equation

HRID 692437 reaction equation
[C:11]([CH3:12])([CH3:13])([CH3:14])[O:15][C:16](=[O:17])[N:18]1[CH2:19][CH2:20][NH:21][CH2:22][CH2:23][CH2:24]1.[C:25](=[O:26])([O-:27])[O-:28].[CH3:36][CH2:37][O:38][C:39]([CH3:40])=[O:41].[F:1][c:2]1[cH:3][cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1.[K+:29].[K+:30].[O:31]=[CH:32][N:33]([CH3:34])[CH3:35]>>[c:2]1([N:21]2[CH2:20][CH2:19][N:18]([C:16]([O:15][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:17])[CH2:24][CH2:23][CH2:22]2)[cH:3][cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9590p-FluoronitrobenzeneHCID 19660Carbonate IonHCID 2756058Tert-butyl 1,4-diazepane-1-carboxylate

Product 1

HCID 18008978tert-Butyl 4-(4-nitrophenyl)-1,4-diazepane-1-carboxylate

Sources & evidence

ORD record
ord-ec079ed0dea94ff3ac3b6e4125160de8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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