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

HRID 185209

Reaction equation

HRID 185209 reaction equation
[CH3:23][S:24](=[O:25])(=[O:26])[OH:27].[NH2:1][c:2]1[c:3]([S:8][CH:9]([CH:10]([C:11](=[O:12])[NH2:13])[OH:14])[c:15]2[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]2)[cH:4][cH:5][cH:6][cH:7]1.[c:28]1([CH3:29])[c:30]([CH3:31])[cH:32][cH:33][cH:34][cH:35]1>>[c:2]12[c:3]([cH:4][cH:5][cH:6][cH:7]1)[S:8][CH:9]([c:15]1[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]1)[CH:10]([OH:14])[C:11](=[O:12])[NH:13]2

Participants

4

Reactant 3

HCID 6395Methanesulfonic AcidHCID 7237O-XyleneHCID 538426453-(2-Aminophenylthio)-2-hydroxy-3-(4-methoxyphenyl)propionamide

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-40c881557eb94b9b9c647796f81bd95f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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