HRID194393

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID11449840

3-Methoxy-4-o-tolylureidophenylacetic acid

C17H18N2O4

HCID23511914

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(C#CC2CCCN2C(=O)Cc2ccc(NC(=O)Nc3ccccc3C)c(OC)c2)cc1

HCID69332958

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b3e111032df84fcf90274f81df2d1e15
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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