HRID166883

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID21885

2-Dimethylaminopyridine

C7H10N2

HCID4962303

3,5-dimethylisoxazole-4-sulfonamide

C5H8N2O3S

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)c2c(C)noc2C)nn1

HCID18693223

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82bab682dd7640ff8d925cc6edc28bfc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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.[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].[CH3:47][c:48]1[n:49][o:50][c:51]([CH3:57])[c:52]1[S:53](=[O:54])(=[O:55])[NH2:56].[Cl:58][CH2:59][Cl:60].[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:56][S:53]([c:52]3[c:48]([CH3:47])[n:49][o:50][c:51]3[CH3:57])(=[O:54])=[O:55])[n:15][n:16]2)[cH:20]1