Sodium ion → (2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

HRID 149395

Reaction equation

HRID 149395 reaction equation
[BH4-:10].[CH3:12][O:13][c:14]1[cH:15][cH:16][c:17]([CH:20]2[S:21][c:22]3[c:23]([cH:29][cH:30][cH:31][cH:32]3)[NH:24][C:25](=[O:28])[C:26]2=[O:27])[cH:18][cH:19]1.[NH2:1][CH:2]([C:3]([OH:4])=[O:5])[C:6]([CH3:7])([CH3:8])[CH3:9].[Na+:11].[O:33]1[CH2:34][CH2:35][CH2:36][CH2:37]1>>[CH3:12][O:13][c:14]1[cH:15][cH:16][c:17]([CH:20]2[S:21][c:22]3[c:23]([cH:29][cH:30][cH:31][cH:32]3)[NH:24][C:25](=[O:28])[CH:26]2[OH:27])[cH:18][cH:19]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 8028TetrahydrofuranHCID 28123BorohydrideHCID 3061312-Amino-3,3-dimethylbutanoic acidHCID 109026231,5-Benzothiazepine-3,4(2H,5H)-dione, 2-(4-methoxyphenyl)-

Product 1

HCID 3260419(2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

Sources & evidence

ORD record
ord-4c316f16e22c4d2caaf12319faf84476
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

Loading…