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

HRID 1202850Notes

Reaction equation

HRID 1202850 reaction equation
[BH4-:10].[CH3:17][O:18][c:19]1[cH:20][cH:21][c:22]([CH:25]2[S:26][c:27]3[c:28]([cH:34][cH:35][cH:36][cH:37]3)[NH:29][C:30](=[O:33])[C:31]2=[O:32])[cH:23][cH:24]1.[CH3:1][CH2:2][CH:3]([CH:4]([C:5](=[O:6])[OH:7])[NH2:8])[CH3:9].[CH3:38][C:39](=[O:40])[OH:41].[Na+:11].[O:12]1[CH2:13][CH2:14][CH2:15][CH2:16]1>>[CH3:17][O:18][c:19]1[cH:20][cH:21][c:22]([CH:25]2[S:26][c:27]3[c:28]([cH:34][cH:35][cH:36][cH:37]3)[NH:29][C:30](=[O:33])[CH:31]2[OH:32])[cH:23][cH:24]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 7912-Amino-3-methylpentanoic acidHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 28123BorohydrideHCID 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-31cb1f91605c4686ab978817f4ac2c44
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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