1,2-Dichloroethane → tert-Butyl (4-oxopentyl)carbamate

HRID 1208480Notes

Reaction equation

HRID 1208480 reaction equation
[Br-:44].[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8](=[O:9])[NH:10][CH2:11][CH2:12][CH2:13][C:14](=[O:15])[OH:16].[CH2:22]([Cl:23])[CH2:24][Cl:25].[CH3:18][NH:19][O:20][CH3:21].[CH3:37][N:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1.[CH3:45][Mg+:46].[CH3:53][C:54]#[N:55].[ClH:17].[ClH:26].[K+:52].[N:1]#[N:2].[OH:27][n:28]1[c:29]2[c:30]([cH:31][cH:32][cH:33][cH:34]2)[n:35][n:36]1.[S:47](=[O:48])(=[O:49])([OH:50])[O-:51]>>[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8](=[O:9])[NH:10][CH2:11][CH2:12][CH2:13][C:14](=[O:16])[CH3:18]

Participants

13

Reactant 12

HCID 111,2-DichloroethaneHCID 259Bromide ionHCID 313Hydrochloric Acid2×HCID 813Potassium CationHCID 947NitrogenHCID 6342AcetonitrileHCID 79724-MethylmorpholineHCID 14232N,O-DimethylhydroxylamineHCID 61778Sulfate, hydrogenHCID 757711-HydroxybenzotriazoleHCID 2948944-(((Tert-butoxy)carbonyl)amino)butanoic acidHCID 178477777HCID 178477777, compound

Product 1

HCID 21478928tert-Butyl (4-oxopentyl)carbamate

Sources & evidence

ORD record
ord-524ea6453f2e4d31b66e8cece39d1c7c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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