HRID2346771

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

HCID8028

Tetrahydrofuran

C4H8O

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID565702

1-Ethyl-1H-pyrazole-5-carboxylic acid

C6H8N2O2

HCID57582341

未命名化合物

PRODUCTS

生成物

结构：CCn1nccc1C(=O)Nc1ccc(-c2cc(OC)ccc2Cl)c(N)n1

HCID25159328

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd5889256fd34f0d8ed2454e7f1dfca7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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