HRID1549421

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID312

Chloride

Cl-

4 次

HCID887

Methanol

CH4O

HCID7764

Ethyl cyanoacetate

C5H7NO2

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID114942

Titanium(4+)

Ti+4

HCID9994021

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C#N)C1c2ccccc2COc2cc(C(=O)OC)ccc21

HCID54567030

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bcf4b5a99cd240e789f18ed6978ec3ef
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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