HRID112489

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID68092

Isoquinoline-1-carboxylic acid

C10H7NO2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID19702145

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Cc1ccc(NC(=O)c2nccc3ccccc23)c(Br)c1

HCID58778618

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea63c53359044394b925d2c21bf25568
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

[CH2:38]([Cl:39])[CH2:40][Cl:41].[CH3:48][N:49]([c:50]1[cH:51][cH:52][n:53][cH:54][cH:55]1)[CH3:56].[ClH:42].[NH2:14][c:15]1[c:16]([Br:27])[cH:17][c:18]([CH2:21][C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:19][cH:20]1.[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[OH2:57].[OH:28][n:29]1[c:30]2[c:31]([cH:32][cH:33][cH:34][cH:35]2)[n:36][n:37]1.[c:1]1([C:11](=[O:12])[OH:13])[n:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12>>[c:1]1([C:11](=[O:13])[NH:14][c:15]2[c:16]([Br:27])[cH:17][c:18]([CH2:21][C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:19][cH:20]2)[n:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12