HRID1219511

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID7937

2,6-Dimethylpyridine

C7H9N

HCID15413

Methyl tert-butyl ether

C5H12O

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID4589692

3-Methylisoxazole-4-carboxylic acid

C5H5NO3

HCID57582341

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cl)c(-c2ccc(NC(=O)c3conc3C)nc2N)c1

HCID25159056

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1af377ab942646dc90638d9b2d1b199b
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

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