HRID89354

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID6586

Methyl chlorocarbonate

C2H3ClO2

HCID8471

Triethylamine

C6H15N

HCID53674795

未命名化合物

HCID54073598

未命名化合物

PRODUCTS

生成物

结构：CCN(CC=CC#CC(C)(C)C)CC(=O)NCC=Cc1cccc(-c2ccsc2)c1

HCID178463961

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-708f30acf9ff45ff8d3142b858fd958c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:2]([CH3:3])[N:4]([CH2:5][C:6](=[O:7])[OH:8])[CH2:9][CH:10]=[CH:11][C:12]#[C:13][C:14]([CH3:15])([CH3:16])[CH3:17].[CH2:45]([Cl:46])[Cl:47].[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[Cl:18][C:19]([O:20][CH3:21])=[O:22].[ClH:1].[s:30]1[cH:31][c:32](-[c:35]2[cH:36][c:37]([CH:41]=[CH:42][CH2:43][NH2:44])[cH:38][cH:39][cH:40]2)[cH:33][cH:34]1>>[CH2:2]([CH3:3])[N:4]([CH2:5][C:6](=[O:8])[NH:44][CH2:43][CH:42]=[CH:41][c:37]1[cH:36][c:35](-[c:32]2[cH:31][s:30][cH:34][cH:33]2)[cH:40][cH:39][cH:38]1)[CH2:9][CH:10]=[CH:11][C:12]#[C:13][C:14]([CH3:15])([CH3:16])[CH3:17]