Potassium Cation → 8-Chloro-3-hydroxy-2-(4-methoxyphenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydro-1,5-benzothiazepin-4-one

HRID 1209681Notes

Reaction equation

HRID 1209681 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[S:10][c:11]3[c:12]([cH:22][cH:23][c:24]([Cl:26])[cH:25]3)[N:13]([CH2:18][CH2:19][CH2:20][Cl:21])[C:14](=[O:17])[CH:15]2[OH:16])[cH:7][cH:8]1.[CH3:39][C:40]#[N:41].[I-:43].[K+:42].[c:27]1([N:33]2[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]2)[cH:28][cH:29][cH:30][cH:31][cH:32]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:22][cH:23][c:24]([Cl:26])[cH:25]3)[N:13]([CH2:18][CH2:19][CH2:20][N:36]3[CH2:35][CH2:34][N:33]([c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[CH2:38][CH2:37]3)[C:14](=[O:17])[CH:15]2[OH:16])[cH:7][cH:8]1

Participants

6

Reactant 5

HCID 813Potassium CationHCID 6342AcetonitrileHCID 70961-PhenylpiperazineHCID 30165Iodide IonHCID 152234298-Chloro-5-(3-chloropropyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one

Product 1

HCID 152234318-Chloro-3-hydroxy-2-(4-methoxyphenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydro-1,5-benzothiazepin-4-one

Sources & evidence

ORD record
ord-af7d1a97b3d04950902802bd5580ea62
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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