Hydrogen Bromide → N-methoxy-N-methyl-2-phenyl-1,3-thiazole-5-carboxamide

HRID 149054Notes

Reaction equation

HRID 149054 reaction equation
[Br:3].[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[CH3:27][NH:28][O:29][CH3:30].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[ClH:18].[ClH:26].[Na+:2].[O:32]1[CH2:33][CH2:34][O:35][CH2:36][CH2:37]1.[OH-:1].[OH2:31].[c:4]1(-[c:10]2[s:11][c:12]([C:15]([CH3:16])=[O:17])[cH:13][n:14]2)[cH:5][cH:6][cH:7][cH:8][cH:9]1>>[c:4]1(-[c:10]2[s:11][c:12]([C:15](=[O:17])[N:28]([CH3:27])[O:29][CH3:30])[cH:13][n:14]2)[cH:5][cH:6][cH:7][cH:8][cH:9]1

Participants

12

Reactant 11

HCID 260Hydrogen BromideHCID 313Hydrochloric Acid2×HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 14232N,O-DimethylhydroxylamineHCID 312751,4-DioxaneHCID 6089961-(2-Phenyl-1,3-thiazol-5-yl)ethan-1-one

Product 1

HCID 9921229N-methoxy-N-methyl-2-phenyl-1,3-thiazole-5-carboxamide

Sources & evidence

ORD record
ord-b763be14f7c14e69a8d47bb439158de4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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