HRID678700

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1118

Sulfuric acid

H2O4S

HCID31214

Ethyl orthoformate

C7H16O3

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

HCID68600305

未命名化合物

PRODUCTS

生成物

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

HCID68600048

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-65723178286a44279f05f362bdb627e4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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