HRID821660

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID21885

2-Dimethylaminopyridine

C7H10N2

HCID3401849

Propane-1-sulfonamide

C3H9NO2S

结构：C=C(C)COc1ccc(Br)cc1CN(CC)c1ccc(C(=O)O)nn1

HCID10135994

未命名化合物

PRODUCTS

生成物

结构：C=C(C)COc1ccc(Br)cc1CN(CC)c1ccc(C(=O)NS(=O)(=O)CCC)nn1

HCID18693268

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-31499060bc9c4f5b8c5aaa0751a9c583
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([O:21][CH2:22][C:23](=[CH2:24])[CH3:25])[c:6]([CH2:7][N:8]([CH2:9][CH3:10])[c:11]2[cH:12][cH:13][c:14]([C:17](=[O:18])[OH:19])[n:15][n:16]2)[cH:20]1.[CH2:47]([CH2:48][CH3:49])[S:50](=[O:51])(=[O:52])[NH2:53].[CH3:27][N:28]([CH3:29])[CH2:30][CH2:31][CH2:32][N:33]=[C:34]=[N:35][CH2:36][CH3:37].[CH3:38][N:39]([c:40]1[cH:41][cH:42][cH:43][cH:44][n:45]1)[CH3:46].[CH3:57][N:58]([c:59]1[cH:60][cH:61][n:62][cH:63][cH:64]1)[CH3:65].[Cl:54][CH2:55][Cl:56].[ClH:26]>>[Br:1][c:2]1[cH:3][cH:4][c:5]([O:21][CH2:22][C:23](=[CH2:24])[CH3:25])[c:6]([CH2:7][N:8]([CH2:9][CH3:10])[c:11]2[cH:12][cH:13][c:14]([C:17](=[O:19])[NH:53][S:50]([CH2:47][CH2:48][CH3:49])(=[O:51])=[O:52])[n:15][n:16]2)[cH:20]1