HRID311693

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6340

Ethane, iodo-

C2H5I

HCID7915

Isopropyl acetate

C5H10O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)O

HCID58160370

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C

HCID58160380

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0bf6cbc0f2f04208bf394c32b60919a0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:29](=[O:30])([O-:31])[O-:32].[C:38]([O:39][CH:40]([CH3:41])[CH3:42])(=[O:43])[CH3:44].[CH2:35]([CH3:36])[I:37].[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[Cs+:33].[Cs+:34].[OH2:45].[c:1]1(-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:2][cH:3][c:4]([CH2:7][CH:8]([CH2:9][CH:10]([C:11](=[O:12])[OH:13])[CH3:14])[NH:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[cH:5][cH:6]1>>[c:1]1(-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:2][cH:3][c:4]([CH2:7][CH:8]([CH2:9][CH:10]([C:11]([O:12][CH2:35][CH3:36])=[O:13])[CH3:14])[NH:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[cH:5][cH:6]1