HRID192827

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID12057

Benzenesulfinic acid

C6H6O2S

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID5360545

Sodium

HCID67313624

未命名化合物

HCID67313746

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(c2cccc3cc(S(=O)(=O)c4ccccc4)cnc23)CC1

HCID9929162

8-(4-Methyl-piperazin-1-yl)-3phenylsulfonylquinoline

C20H21N3O2S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f3df3c5f9384e8a9a36abbafd08cd00
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:19][c:20]1[cH:21][n:22][c:23]2[c:24]([cH:25]1)[cH:26][cH:27][cH:28][c:29]2[N:30]1[CH2:31][CH2:32][N:33]([CH3:34])[CH2:35][CH2:36]1.[C:47](=[O:48])([O-:49])[OH:50].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[Cl:59][CH2:60][Cl:61].[Cu:57][I:58].[I:1][c:2]1[cH:3][n:4][c:5]2[c:6]([N:12]3[CH2:13][CH2:14][N:15]([CH3:18])[CH2:16][CH2:17]3)[cH:7][cH:8][cH:9][c:10]2[cH:11]1.[Na+:51].[Na:37].[c:38]1([S:44](=[O:45])[OH:46])[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[c:2]1([S:44]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)(=[O:45])=[O:46])[cH:3][n:4][c:5]2[c:6]([N:12]3[CH2:13][CH2:14][N:15]([CH3:18])[CH2:16][CH2:17]3)[cH:7][cH:8][cH:9][c:10]2[cH:11]1