Bromide ion → 2-(2-chloro-4-[(N-methoxy-N-methylamino)carbonylamino]phenyl)methyl-5,6-dihydro-4,4-dimethyl-2H-1,2-oxazin-3(4H)-one

HRID 1116851Notes

Reaction equation

HRID 1116851 reaction equation
[Br-:27].[CH2:28]1[O:29][CH2:30][CH2:31][O:32][CH2:33][CH2:34][O:35][CH2:36][CH2:37][O:38][CH2:39][CH2:40][O:41][CH2:42][CH2:43][O:44][CH2:45]1.[CH3:1][C:2]1([CH3:9])[C:3](=[O:8])[NH:4][O:5][CH2:6][CH2:7]1.[CH3:46][C:47]#[N:48].[Cl:10][c:11]1[c:12]([CH2:24][Br:25])[cH:13][cH:14][c:15]([NH:17][C:18](=[O:19])[N:20]([CH3:21])[O:22][CH3:23])[cH:16]1.[K+:26]>>[CH3:1][C:2]1([CH3:9])[C:3](=[O:8])[N:4]([CH2:24][c:12]2[c:11]([Cl:10])[cH:16][c:15]([NH:17][C:18](=[O:19])[N:20]([CH3:21])[O:22][CH3:23])[cH:14][cH:13]2)[O:5][CH2:6][CH2:7]1

Participants

7

Reactant 6

HCID 259Bromide ionHCID 813Potassium CationHCID 6342AcetonitrileHCID 2855718-Crown-6HCID 13557273HCID 13557273, compoundHCID 13557277HCID 13557277, compound

Product 1

HCID 135572632-(2-chloro-4-[(N-methoxy-N-methylamino)carbonylamino]phenyl)methyl-5,6-dihydro-4,4-dimethyl-2H-1,2-oxazin-3(4H)-one

Sources & evidence

ORD record
ord-31a47db7fb624be295a00811eaca9ac5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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