HRID86448

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID19660

Carbonate Ion

CO3-2

HCID30165

Iodide ion

I-

HCID3156650

1-(2-chloroethyl)pyrrolidin-2-one

C6H10ClNO

HCID13498245

1-(10,11-Dihydro-3-methoxy-8-methylthio-dibenzo[b,f]thiepin-10-yl)-piperazine

C20H24N2OS2

PRODUCTS

产物

HCID21416201

1-{2-[4-(10,11-Dihydro-3-methoxy-8-methylthio-dibenzo[b,f]thiepin-10-yl)-1-piperazinyl]-ethyl}-2-pyrrolidinone

C26H33N3O2S2

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ed5c0ed032e646d098426d7201823cdf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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