HRID1239208

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID8900

Heptane

C7H16

HCID24386

Thionyl chloride

Cl2OS

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID314768

4-methyl-1,2,5-oxadiazole-3-carboxylic acid

C4H4N2O3

HCID66637041

未命名化合物

PRODUCTS

生成物

结构：COc1cc(Cl)cc(-c2ccc(NC(=O)c3nonc3C)nc2N)c1Cl

HCID25155961

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab4d6e0922c3456db69cc72b415cdd7e
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

[CH3:1][c:2]1[c:3]([C:7](=[O:8])[OH:9])[n:4][o:5][n:6]1.[CH3:39][C:40]#[N:41].[CH3:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH3:54].[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[Cl-:34].[Cl:10][C:11]([C:12]([Cl:13])=[O:14])=[O:15].[Cl:16][c:17]1[c:18](-[c:26]2[c:27]([NH2:33])[n:28][c:29]([NH2:32])[cH:30][cH:31]2)[cH:19][c:20]([Cl:25])[cH:21][c:22]1[O:23][CH3:24].[S:35]([Cl:36])([Cl:37])=[O:38].[cH:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1>>[CH3:1][c:2]1[c:3]([C:7](=[O:9])[NH:32][c:29]2[n:28][c:27]([NH2:33])[c:26](-[c:18]3[c:17]([Cl:16])[c:22]([O:23][CH3:24])[cH:21][c:20]([Cl:25])[cH:19]3)[cH:31][cH:30]2)[n:4][o:5][n:6]1