HRID142653

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID81531

Diisopropylethylamine

C8H19N

HCID1810216

3-Isoxazolamine

C3H4N2O

结构：Cc1ccc(C(=O)O)cc1-c1cc2cnnc(-c3ccccc3Cl)c2n(C)c1=O

HCID46855853

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)Nc2ccon2)cc1-c1cc2cnnc(-c3ccccc3Cl)c2n(C)c1=O

HCID46183916

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2673d41e9bcb48e1ab9aea9cc3ef5e28
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

[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[Cl:1][c:2]1[c:3](-[c:8]2[c:9]3[c:10]([cH:11][n:12][n:13]2)[cH:14][c:15](-[c:20]2[cH:21][c:22]([C:23](=[O:24])[OH:25])[cH:26][cH:27][c:28]2[CH3:29])[c:16](=[O:19])[n:17]3[CH3:18])[cH:4][cH:5][cH:6][cH:7]1.[Cl:30][C:31]([C:32]([Cl:33])=[O:34])=[O:35].[Cl:51][CH2:52][Cl:53].[NH2:36][c:37]1[n:38][o:39][cH:40][cH:41]1.[O:54]=[CH:55][N:56]([CH3:57])[CH3:58]>>[Cl:1][c:2]1[c:3](-[c:8]2[c:9]3[c:10]([cH:11][n:12][n:13]2)[cH:14][c:15](-[c:20]2[cH:21][c:22]([C:23](=[O:24])[NH:36][c:37]4[n:38][o:39][cH:40][cH:41]4)[cH:26][cH:27][c:28]2[CH3:29])[c:16](=[O:19])[n:17]3[CH3:18])[cH:4][cH:5][cH:6][cH:7]1