Sodium ion → 7-[({5-[1-Hydroxy-1-(trifluoromethyl)propyl]-1,3,4-oxadiazol-2-yl}amino)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-2H-chromen-2-one

HRID 187971Notes

Reaction equation

HRID 187971 reaction equation
[BH4-:51].[CH3:1][c:2]1[s:3][cH:4][c:5](-[c:7]2[cH:8][c:9](=[O:19])[o:10][c:11]3[cH:12][c:13]([CH:17]=[O:18])[cH:14][cH:15][c:16]23)[n:6]1.[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[NH2:20][c:21]1[n:22][n:23][c:24]([C:26]([C:27]([F:28])([F:29])[F:30])([CH2:31][CH3:32])[OH:33])[o:25]1.[Na+:52].[c:34]1([CH3:35])[cH:36][cH:37][c:38]([S:39]([O-:40])(=[O:41])=[O:42])[cH:43][cH:44]1.[nH+:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[CH3:1][c:2]1[s:3][cH:4][c:5](-[c:7]2[cH:8][c:9](=[O:19])[o:10][c:11]3[cH:12][c:13]([CH2:17][NH:20][c:21]4[n:22][n:23][c:24]([C:26]([C:27]([F:28])([F:29])[F:30])([CH2:31][CH3:32])[OH:33])[o:25]4)[cH:14][cH:15][c:16]23)[n:6]1

Participants

8

Reactant 7

HCID 923Sodium ionHCID 1140TolueneHCID 28123BorohydrideHCID 85570p-ToluenesulfonateHCID 4989215PyridiniumHCID 469421982-(5-Amino-1,3,4-oxadiazol-2-yl)-1,1,1-trifluorobutan-2-olHCID 577292574-(2-Methyl-1,3-thiazol-4-yl)-2-oxo-2H-chromene-7-carbaldehyde

Product 1

HCID 118550917-[({5-[1-Hydroxy-1-(trifluoromethyl)propyl]-1,3,4-oxadiazol-2-yl}amino)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-2H-chromen-2-one

Sources & evidence

ORD record
ord-79d28fe208ed44f9b3dc44760dbb807d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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