HRID284643

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID174

Ethylene glycol

C2H6O2

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID3776

Isopropanol

C3H8O

HCID8857

Ethyl acetate

C4H8O2

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID53409561

未命名化合物

HCID66634769

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NC(C)c1ccc(N2CC(Oc3ccc(C(C)(C)C)cc3)C2)cc1

HCID89654426

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6928621dd414484bac47baf5101c7be0
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:14]([CH3:15])([CH3:16])([CH3:17])[c:18]1[cH:19][cH:20][c:21]([O:22][CH:23]2[CH2:24][NH:25][CH2:26]2)[cH:27][cH:28]1.[CH2:37]([OH:38])[CH2:39][OH:40].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[CH:41]([OH:42])([CH3:43])[CH3:44].[Cu:45][I:46].[I:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH3:9])[NH:10][C:11]([CH3:12])=[O:13])[cH:6][cH:7]1.[K+:34].[K+:35].[K+:36].[P:29]([O-:30])([O-:31])([O-:32])=[O:33]>>[c:2]1([N:25]2[CH2:24][CH:23]([O:22][c:21]3[cH:20][cH:19][c:18]([C:14]([CH3:15])([CH3:16])[CH3:17])[cH:28][cH:27]3)[CH2:26]2)[cH:3][cH:4][c:5]([CH:8]([CH3:9])[NH:10][C:11]([CH3:12])=[O:13])[cH:6][cH:7]1