HRID97415

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6212

Chloroform

CHCl3

HCID7863

Acetaldehyde oxime

C2H5NO

HCID8471

Triethylamine

C6H15N

HCID10908

tert-Butyl acetate

C6H12O2

HCID31398

N-Chlorosuccinimide

C4H4ClNO2

HCID3028194

Lithium

HCID15540684

Ethyl 3-ethynylbenzoate

C11H10O2

HCID22224947

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2cccc(C(=O)CC(=O)OC(C)(C)C)c2)on1

HCID69592871

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9475a2823de4c819729cd3a6d2da83b
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

[C:18]([c:19]1[cH:20][c:21]([C:25]([O:26][CH2:27][CH3:28])=[O:29])[cH:22][cH:23][cH:24]1)#[CH:30].[C:43]([CH3:44])(=[O:45])[O:46][C:47]([CH3:48])([CH3:49])[CH3:50].[CH3:1][c:2]1[n:3][o:4][c:5](-[c:7]2[cH:8][c:9]([C:10]([O:12][CH2:11][CH3:13])=[O:14])[cH:15][cH:16][cH:17]2)[cH:6]1.[CH3:62][CH2:63][N:64]([CH2:65][CH3:66])[CH2:67][CH3:68].[CH:39](=[N:40][OH:41])[CH3:42].[Cl:31][N:32]1[C:33](=[O:34])[CH2:35][CH2:36][C:37]1=[O:38].[Cl:52][CH:53]([Cl:54])[Cl:55].[Li:51].[cH:56]1[cH:57][cH:58][n:59][cH:60][cH:61]1>>[CH3:1][c:2]1[n:3][o:4][c:5](-[c:7]2[cH:8][c:9]([C:10](=[O:12])[CH2:44][C:43](=[O:45])[O:46][C:47]([CH3:48])([CH3:49])[CH3:50])[cH:15][cH:16][cH:17]2)[cH:6]1