HRID1125001

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID8471

Triethylamine

C6H15N

HCID24819

Phosphorus pentachloride

Cl5P

HCID9154702

2-[(1,1-Dimethylethyl)amino]-4-methyl-5-thiazolecarboxylic acid

C9H14N2O2S

2 次

HCID11344054

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(NC(C)(C)C)sc1C(=O)NC(C#N)c1cccs1

HCID54145706

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f5b58315a1e4f82876c2d11adfef4ab
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

[C:16]([NH:17][c:18]1[s:19][c:20]([C:21]([OH:22])=[O:23])[c:24]([CH3:25])[n:26]1)([CH3:27])([CH3:28])[CH3:29].[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][c:6]1[s:7][c:8]([C:12](=[O:13])[OH:14])[c:9]([CH3:11])[n:10]1.[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[Cl-:15].[Cl:30][P:31]([Cl:32])([Cl:33])([Cl:34])[Cl:35].[ClH:36].[NH2:37][CH:38]([C:39]#[N:40])[c:41]1[s:42][cH:43][cH:44][cH:45]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][c:6]1[s:7][c:8]([C:12](=[O:14])[NH:37][CH:38]([C:39]#[N:40])[c:41]2[s:42][cH:43][cH:44][cH:45]2)[c:9]([CH3:11])[n:10]1