HRID199008

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID174

Ethylene glycol

C2H6O2

HCID263

1-Butanol

C4H10O

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID24350

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

CuI

HCID2724516

1-Bromo-3-fluoro-4-iodobenzene

C6H3BrFI

HCID57970939

未命名化合物

PRODUCTS

生成物

结构：O=C1N(C2CCC(O)CC2)CCC12CCCN(c1ccc(Br)cc1F)C2

HCID76547897

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cbeaa50982914ce0b95453f965b15953
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

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