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

HRID 287325Notes

Reaction equation

HRID 287325 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[S:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]3[N:17]([CH2:18][CH2:19][N:20]([CH3:21])[CH3:22])[C:23](=[O:24])[CH:25]2[O:26][C:27]([CH3:28])=[O:29])[cH:7][cH:8]1.[CH3:30][O:31][c:32]1[cH:33][c:34]([CH2:35][CH2:36][I:37])[cH:38][c:39]([O:41][CH3:42])[cH:40]1.[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[S:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]3[N:17]([CH2:18][CH2:19][N+:20]([CH3:21])([CH3:22])[CH2:36][CH2:35][c:34]3[cH:33][c:32]([O:31][CH3:30])[cH:40][c:39]([O:41][CH3:42])[cH:38]3)[C:23](=[O:24])[CH:25]2[O:26][C:27]([CH3:28])=[O:29])[cH:7][cH:8]1.[I-:37]

Participants

5

Reactant 3

HCID 30763-(Acetyloxy)-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-oneHCID 8857Ethyl AcetateHCID 126839771-(2-Iodoethyl)-3,5-dimethoxybenzene

Product 2

HCID 30165Iodide IonHCID 201492542-[3-Acetyloxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-[2-(3,5-dimethoxyphenyl)ethyl]-dimethylazanium

Sources & evidence

ORD record
ord-52e3660152ba4e25954394415d47f287
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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