HRID196166

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

结构：C#Cc1cnc2ccc(OC(SC)C(=O)NC(C)(C=O)COC)cc2c1

HCID59565278

未命名化合物

HCID136023029

未命名化合物

PRODUCTS

生成物

结构：C#Cc1cnc2ccc(OC(SC)C(=O)NC(C)(C#C)COC)cc2c1

HCID86647251

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1481b455ea7947968197a37a9b1111e8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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