HRID1114077

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID312

Chloride

Cl-

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15458

tert-Butyl acrylate

C7H12O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID105144

Palladium(2+)

Pd+2

HCID73554834

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(C=CC(=O)OC(C)(C)C)ccc1OCc1ccccc1

HCID91253758

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-236878c7147f42a6948d2736772e7a63
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:17]([CH:18]=[CH2:19])(=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25].[C:26](=[O:27])([OH:28])[O-:29].[C:60]([O-:61])(=[O:62])[CH3:63].[C:65]([O-:66])(=[O:67])[CH3:68].[CH3:1][c:2]1[n:3][c:4]([I:16])[cH:5][cH:6][c:7]1[O:8][CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1.[CH3:32][CH2:33][CH2:34][CH2:35][N+:36]([CH2:37][CH2:38][CH2:39][CH3:40])([CH2:41][CH2:42][CH2:43][CH3:44])[CH2:45][CH2:46][CH2:47][CH3:48].[CH3:54][CH2:55][O:56][C:57]([CH3:58])=[O:59].[Cl-:31].[Na+:30].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[Pd+2:64]>>[CH3:1][c:2]1[n:3][c:4]([CH:19]=[CH:18][C:17](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[cH:5][cH:6][c:7]1[O:8][CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1