HRID187083

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID259

Bromide

Br-

HCID6397

Chlorotrimethylsilane

C3H9ClSi

HCID8028

Tetrahydrofuran

C4H8O

HCID24350

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

CuI

HCID28486

Lithium ion

Li+

HCID80516

Hexane, 1-bromo-6-chloro-

C6H12BrCl

HCID81646

2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-

C6H12N2O

HCID5462224

Magnesium

结构：CC12CC(F)C3C4CCC(=O)C=C4C=CC3C1CCC2=O

HCID21953273

未命名化合物

PRODUCTS

生成物

结构：CC12CC(F)C3C4CCC(=O)C=C4CC(CCCCCCCl)C3C1CCC2=O

HCID178421443

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a764c9103bb242efbc5f22949be326c3
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-:11].[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][Cl:8].[CH2:33]1[O:34][CH2:35][CH2:36][CH2:37]1.[CH3:38][N:39]1[CH2:40][CH2:41][CH2:42][N:43]([CH3:44])[C:45]1=[O:46].[CH3:47][Si:48]([CH3:49])([CH3:50])[Cl:51].[CH3:54][C:55](=[O:56])[OH:57].[Cu:52][I:53].[F:12][CH:13]1[CH:14]2[CH:15]3[CH2:16][CH2:17][C:18](=[O:32])[CH:19]=[C:20]3[CH:21]=[CH:22][CH:23]2[CH:24]2[CH2:25][CH2:26][C:27](=[O:31])[C:28]2([CH3:29])[CH2:30]1.[Li+:10].[Mg:9]>>[CH2:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][Cl:8])[CH:22]1[CH2:21][C:20]2=[CH:19][C:18](=[O:32])[CH2:17][CH2:16][CH:15]2[CH:14]2[CH:13]([F:12])[CH2:30][C:28]3([CH3:29])[CH:24]([CH:23]21)[CH2:25][CH2:26][C:27]3=[O:31]