HRID108990

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

HCID24350

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

CuI

HCID228349

N-Methylhomopiperazine

C6H14N2

结构：O=C(NCc1cnn(-c2ccc(I)cc2)c1)c1ccc(Cl)s1

HCID68510993

未命名化合物

PRODUCTS

生成物

结构：CN1CCCN(c2ccc(-n3cc(CNC(=O)c4ccc(Cl)s4)cn3)cc2)CC1

HCID59260096

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-58062ec597ee46c4aaeb6e1529b01c36
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

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