Acetate → HCID 21711824, compound

HRID 1538418Notes

Reaction equation

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

Participants

Reactant 7

HCID 175Acetate

HCID 259Bromide ion

HCID 813Potassium Cation

HCID 6342Acetonitrile

HCID 7500Ethylbenzene

HCID 16028Tetrabutylammonium

HCID 4712659(2R,3S)-3-(Tert-butoxycarbonylamino)-1-chloro-2-hydroxy-4-phenylbutane

Product 1

HCID 21711824HCID 21711824, compound

Sources & evidence

ORD record: ord-9a9537c3926049a696648d4c7021276a
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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