HRID210807

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID174

Ethylene glycol

C2H6O2

HCID813

Potassium cation

K+

3 次

HCID887

Methanol

CH4O

HCID1061

Phosphate

O4P-3

HCID3776

Isopropanol

C3H8O

HCID6344

Dichloromethane

CH2Cl2

HCID24350

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

CuI

HCID3751601

2-Amino-1-(3-chlorophenyl)-1-ethanol

C8H10ClNO

HCID59761663

未命名化合物

PRODUCTS

生成物

结构：COc1nccc(NCC(O)c2cccc(Cl)c2)c1C1OCCO1

HCID59762171

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2ceb14dd8b44411b7f4bc9b48a8245a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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