Dimethylformamide → 1,1-Dioxo-3-butyl-3-ethyl-5-phenyl-7-ethoxycarbonylmethylthio-8-carboxymethoxy-2,3,4,5-tetrahydro-1,5-benzothiazepine

HRID 101685Notes

Reaction equation

HRID 101685 reaction equation
[C:32](=[O:33])([O-:34])[O-:35].[C:38]([CH2:39][SH:40])(=[O:41])[O:42][CH2:43][CH3:44].[Cs+:36].[Cs+:37].[O:1]=[S:2]1(=[O:31])[CH2:3][C:4]([CH2:25][CH3:26])([CH2:27][CH2:28][CH2:29][CH3:30])[CH2:5][N:6]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:7]2[c:8]1[cH:9][c:10]([O:14][CH2:15][C:16](=[O:17])[OH:18])[c:11]([Br:13])[cH:12]2.[O:45]=[CH:46][N:47]([CH3:48])[CH3:49]>>[O:1]=[S:2]1(=[O:31])[CH2:3][C:4]([CH2:25][CH3:26])([CH2:27][CH2:28][CH2:29][CH3:30])[CH2:5][N:6]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:7]2[c:8]1[cH:9][c:10]([O:14][CH2:15][C:16](=[O:17])[OH:18])[c:11]([S:40][CH2:39][C:38](=[O:41])[O:42][CH2:43][CH3:44])[cH:12]2

Participants

6

Reactant 5

HCID 6228DimethylformamideHCID 12185Ethyl ThioglycolateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 223931311,1-Dioxo-3-butyl-3-ethyl-5-phenyl-7-bromo-8-carboxymethoxy-2,3,4,5-tetrahydro-1,5-benzothiazepine

Product 1

HCID 184424711,1-Dioxo-3-butyl-3-ethyl-5-phenyl-7-ethoxycarbonylmethylthio-8-carboxymethoxy-2,3,4,5-tetrahydro-1,5-benzothiazepine

Sources & evidence

ORD record
ord-0fce69a354d04fd99e25a7327622f842
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…