Ammonium → Tert-butyl {3-[3-(methoxymethoxy)phenyl]-3-oxopropyl}carbamate

HRID 212944Notes

Reaction equation

HRID 212944 reaction equation
[Br:12][c:13]1[cH:14][c:15]([OH:16])[cH:17][cH:18][cH:19]1.[Br:1][c:2]1[cH:3][c:4]([O:8][CH2:9][O:10][CH3:11])[cH:5][cH:6][cH:7]1.[C:31]([N:32]([CH2:33][CH2:34][C:35](=[O:36])[N:37]([O:38][CH3:39])[CH3:40])[C:41](=[O:42])[O-:43])([CH3:44])([CH3:45])[CH3:46].[C:47]([CH3:48])([CH3:49])([CH3:50])[O:51][C:52](=[O:53])[NH:54][CH2:55][CH2:56][C:57](=[O:58])[OH:59].[CH2:20]([Li:21])[CH2:22][CH2:23][CH3:24].[CH3:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30].[CH3:61][NH:62][O:63][CH3:64].[Cl-:65].[ClH:60].[NH4+:66].[O:67]1[CH2:68][CH2:69][CH2:70][CH2:71]1.[OH2:72]>>[c:2]1([C:57]([CH2:56][CH2:55][NH:54][C:52]([O:51][C:47]([CH3:48])([CH3:49])[CH3:50])=[O:53])=[O:58])[cH:3][c:4]([O:8][CH2:9][O:10][CH3:11])[cH:5][cH:6][cH:7]1

Participants

13

Reactant 12

HCID 223AmmoniumHCID 312ChlorideHCID 313Hydrochloric AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 8058HexaneHCID 115633-BromophenolHCID 14232N,O-DimethylhydroxylamineHCID 76809N-((1,1-dimethylethoxy)carbonyl)-beta-alanineHCID 103309501-Bromo-3-(methoxymethoxy)benzeneHCID 178418339ButyllithiumHCID 178502713HCID 178502713, compound

Product 1

HCID 57423896Tert-butyl {3-[3-(methoxymethoxy)phenyl]-3-oxopropyl}carbamate

Sources & evidence

ORD record
ord-beb922e8793d4b49992d948e98bd6838
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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