HRID1223639

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1118

Sulfuric acid

H2O4S

HCID8857

Ethyl acetate

C4H8O2

HCID31214

Ethyl orthoformate

C7H16O3

结构：COc1cc(C#N)ccc1C1C(C#N)=C(C)Nc2cc(C)[nH]c(=O)c21

HCID67417449

未命名化合物

PRODUCTS

生成物

结构：CCOc1nc(C)cc2c1C(c1ccc(C#N)cc1OC)C(C#N)=C(C)N2

HCID67418346

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-95cf76e80ed643dea4f4e7351dfa0689
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:1](#[N:2])[c:3]1[cH:4][c:5]([O:24][CH3:25])[c:6]([CH:9]2[C:10]([C:22]#[N:23])=[C:11]([CH3:21])[NH:12][c:13]3[cH:14][c:15]([CH3:20])[nH:16][c:17](=[O:19])[c:18]32)[cH:7][cH:8]1.[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[CH:26]([O:27][CH2:30][CH3:31])([O:32][CH2:33][CH3:34])[O:35][CH2:28][CH3:29].[S:36](=[O:37])(=[O:38])([OH:39])[OH:40]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([O:24][CH3:25])[c:6]([CH:9]2[C:10]([C:22]#[N:23])=[C:11]([CH3:21])[NH:12][c:13]3[cH:14][c:15]([CH3:20])[n:16][c:17]([O:19][CH2:28][CH3:29])[c:18]32)[cH:7][cH:8]1