HRID1218959

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

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID854040

1-Methylindole-3-carboxylic acid

C10H9NO2

HCID17859298

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Cc1ccc(NC(=O)c2cn(C)c3ccccc23)c(Cl)c1

HCID17859282

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0552932e167641b3b7bc504eb3436d8e
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

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