3-(Acetyloxy)-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one → Iodide Ion

HRID 1136124Notes

Reaction equation

HRID 1136124 reaction equation
[CH3:14][O:15][c:16]1[cH:17][cH:18][c:19]([CH:22]2[S:23][c:24]3[cH:25][cH:26][cH:27][cH:28][c:29]3[N:30]([CH2:31][CH2:32][N:33]([CH3:34])[CH3:35])[C:36](=[O:37])[CH:38]2[O:39][C:40]([CH3:41])=[O:42])[cH:20][cH:21]1.[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][CH2:7][I:8])[cH:9][cH:10][c:11]1[O:12][CH3:13].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[IH:43]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][CH2:7][N+:33]([CH2:32][CH2:31][N:30]2[c:29]3[c:24]([cH:25][cH:26][cH:27][cH:28]3)[S:23][CH:22]([c:19]3[cH:18][cH:17][c:16]([O:15][CH3:14])[cH:21][cH:20]3)[CH:38]([O:39][C:40]([CH3:41])=[O:42])[C:36]2=[O:37])([CH3:34])[CH3:35])[cH:9][cH:10][c:11]1[O:12][CH3:13].[I-:8]

Participants

6

Reactant 4

HCID 30763-(Acetyloxy)-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-oneHCID 8857Ethyl AcetateHCID 24841Hydrogen iodideHCID 5970224-(2-Iodoethyl)-1,2-dimethoxybenzene

Product 2

HCID 30165Iodide IonHCID 201492432-[3-Acetyloxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-[2-(3,4-dimethoxyphenyl)ethyl]-dimethylazanium

Sources & evidence

ORD record
ord-6f573867d5b74efeb946bc7b249571b7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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