HRID199778

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID12163

4-Chlorobenzonitrile

C7H4ClN

HCID23994

Zinc

HCID24385

未命名化合物

HCID12056518

未命名化合物

PRODUCTS

生成物

结构：COc1nn(C)c(=O)n1Cc1cc(-c2ccc(C#N)cc2)ccc1C

HCID18388873

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c8e506d69fd419a9efd3946c089f9c8
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

[Br:1][c:2]1[cH:3][cH:4][c:5]([CH3:18])[c:6]([CH2:7][n:8]2[c:9](=[O:16])[n:10]([CH3:15])[n:11][c:12]2[O:13][CH3:14])[cH:17]1.[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[Cl:19][c:20]1[cH:21][cH:22][c:23]([C:24]#[N:25])[cH:26][cH:27]1.[Cl:54][Ni:55][Cl:56].[ClH:47].[Zn:57].[c:28]1([P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43][cH:44][cH:45][cH:46]1.[cH:48]1[cH:49][cH:50][n:51][cH:52][cH:53]1>>[c:2]1(-[c:20]2[cH:21][cH:22][c:23]([C:24]#[N:25])[cH:26][cH:27]2)[cH:3][cH:4][c:5]([CH3:18])[c:6]([CH2:7][n:8]2[c:9](=[O:16])[n:10]([CH3:15])[n:11][c:12]2[O:13][CH3:14])[cH:17]1