Acetic Acid → [8-Chloro-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] propanoate

HRID 663389Notes

Reaction equation

HRID 663389 reaction equation
[BrH:45].[C:41]([OH:42])(=[O:43])[CH3:44].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[S:10][c:11]3[c:12]([cH:36][cH:37][c:38]([Cl:40])[cH:39]3)[N:13]([CH2:22][CH2:23][N:24]([CH3:25])[C:26]([O:27][CH2:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)=[O:35])[C:14](=[O:21])[CH:15]2[O:16][C:17]([CH2:18][CH3:19])=[O:20])[cH:7][cH:8]1.[cH:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[S:10][c:11]3[c:12]([cH:36][cH:37][c:38]([Cl:40])[cH:39]3)[N:13]([CH2:22][CH2:23][NH:24][CH3:25])[C:14](=[O:21])[CH:15]2[O:16][C:17]([CH2:18][CH3:19])=[O:20])[cH:7][cH:8]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 241BenzeneHCID 260Hydrogen BromideHCID 23323452[8-Chloro-2-(4-methoxyphenyl)-5-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] propanoate

Product 1

HCID 13604033[8-Chloro-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] propanoate

Sources & evidence

ORD record
ord-e350c74738e94674a2dc81f75aba6cbf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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