HRID2127427

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID30165

Iodide ion

I-

HCID19916954

未命名化合物

HCID54127829

未命名化合物

PRODUCTS

生成物

结构：CCN(CC=CC#CC(C)(C)C)CCCC(=O)COc1cccc(-c2ccsc2)c1

HCID53868978

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5224529a85554ded9abed7abdb5f572b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][CH2:2][CH2:3][CH2:4][C:5]([CH2:6][O:7][c:8]1[cH:9][c:10](-[c:14]2[cH:15][s:16][cH:17][cH:18]2)[cH:11][cH:12][cH:13]1)=[O:19].[CH2:21]([CH3:22])[NH:23][CH2:24][CH:25]=[CH:26][C:27]#[C:28][C:29]([CH3:30])([CH3:31])[CH3:32].[CH2:35]([O:36][CH2:37][CH3:38])[CH3:39].[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[ClH:20].[I-:34].[K+:33].[OH2:45]>>[CH2:2]([CH2:3][CH2:4][C:5]([CH2:6][O:7][c:8]1[cH:9][c:10](-[c:14]2[cH:15][s:16][cH:17][cH:18]2)[cH:11][cH:12][cH:13]1)=[O:19])[N:23]([CH2:21][CH3:22])[CH2:24][CH:25]=[CH:26][C:27]#[C:28][C:29]([CH3:30])([CH3:31])[CH3:32]