HRID1234011

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8071

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID10821

Phenylacetylene

C8H6

HCID16028

Tetrabutylammonium

C16H36N+

HCID24350

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

CuI

HCID30165

Iodide ion

I-

结构：O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Br)cc1

HCID3334757

N-(2-benzoyl-4-chloro-phenyl)-4-bromo-benzenesulfonamide

C19H13BrClNO3S

PRODUCTS

生成物

结构：O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(C#Cc2ccccc2)cc1

HCID11328918

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82b123891de54784ba932e6cc08b9a4f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[c:9]1[c:10]([NH:16][S:17](=[O:18])(=[O:19])[c:20]2[cH:21][cH:22][c:23]([Br:26])[cH:24][cH:25]2)[cH:11][cH:12][c:13]([Cl:15])[cH:14]1.[CH2:45]([N+:46]([CH2:47][CH2:48][CH2:49][CH3:50])([CH2:51][CH2:52][CH2:53][CH3:54])[CH2:55][CH2:56][CH2:57][CH3:58])[CH2:59][CH2:60][CH3:61].[CH3:30][O:31][CH2:32][CH2:33][O:34][CH3:35].[CH3:64][CH2:65][N:66]([CH2:67][CH3:68])[CH2:69][CH3:70].[Cl:27][CH2:28][Cl:29].[Cu:62][I:63].[I-:44].[c:36]1([C:42]#[CH:43])[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[c:9]1[c:10]([NH:16][S:17](=[O:18])(=[O:19])[c:20]2[cH:21][cH:22][c:23]([C:43]#[C:42][c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[cH:24][cH:25]2)[cH:11][cH:12][c:13]([Cl:15])[cH:14]1