HRID1129264

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID3283

Diethyl Ether

C4H10O

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

HCID104727

Aluminum Cation

Al+3

HCID166653

Hydride

H-

5 次

结构：CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCC3(C)C)nc1

HCID15228883

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CCC(C)(C)c2cc(C#Cc3ccc(CO)cn3)ccc21

HCID19372836

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35baab4b163f4f40ab3f9670b898cef0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Al+3:2].[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[CH3:43][CH2:44][O:45][CH2:46][CH3:47].[CH3:7][C:8]1([CH3:33])[c:9]2[cH:10][cH:11][c:12]([C:20]#[C:21][c:22]3[n:23][cH:24][c:25]([C:26](=[O:27])[O:28][CH2:29][CH3:30])[cH:31][cH:32]3)[cH:13][c:14]2[C:15]([CH3:18])([CH3:19])[CH2:16][CH2:17]1.[Cl-:41].[H-:1].[H-:34].[H-:4].[H-:5].[H-:6].[Li+:3].[NH4+:42]>>[CH3:7][C:8]1([CH3:33])[c:9]2[cH:10][cH:11][c:12]([C:20]#[C:21][c:22]3[n:23][cH:24][c:25]([CH2:26][OH:27])[cH:31][cH:32]3)[cH:13][c:14]2[C:15]([CH3:18])([CH3:19])[CH2:16][CH2:17]1