Hydrochloric Acid → Desacetyl Diltiazem

HRID 946576Notes

Reaction equation

HRID 946576 reaction equation
[Ba+2:31].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[S:10][c:11]3[c:12]([cH:18][cH:19][cH:20][cH:21]3)[NH:13][C:14](=[O:17])[CH:15]2[OH:16])[cH:7][cH:8]1.[CH3:38][N:39]([CH2:40][CH2:41][Cl:42])[CH3:43].[CH:33]([Cl:34])([Cl:35])[Cl:36].[ClH:37].[OH-:30].[OH-:32].[OH2:22].[OH2:23].[OH2:24].[OH2:25].[OH2:26].[OH2:27].[OH2:28].[OH2:29].[OH2:44]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[S:10][c:11]3[c:12]([cH:18][cH:19][cH:20][cH:21]3)[N:13]([CH2:41][CH2:40][N:39]([CH3:38])[CH3:43])[C:14](=[O:17])[CH:15]2[OH:16])[cH:7][cH:8]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 961Hydroxide2×HCID 962Water9×HCID 6212ChloroformHCID 79012-Chloro-N,N-dimethylethylamineHCID 104810Barium ionHCID 3260419(2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

Product 1

HCID 11068728Desacetyl Diltiazem

Sources & evidence

ORD record
ord-be6dee75fef24c4e83501af50cd8b3f3
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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