HRID674339

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID14405752

2-Amino-3-hydroxy-2-methylpropanenitrile

C4H8N2O

HCID59565474

未命名化合物

PRODUCTS

生成物

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

HCID59565307

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-10e2b06a7b174516a86859b965c88995
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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