HRID1126588

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID23994

Zinc

HCID24593

Copper(1+) bromide

BrCu

HCID79177

Acetic acid, bromo-, 1,1-dimethylethyl ester

C6H11BrO2

HCID9817613

2-(8-phenyloctyl)benzaldehyde

C21H26O

HCID16684507

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CC(O)c1ccccc1CCCCCCCCc1ccccc1

HCID15617420

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ce622635c8e423fbea2d4bf4905a271
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:7][CH2:8][C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15].[CH2:2]([Al+:3][CH2:4][CH3:5])[CH3:6].[CH3:38][CH2:39][CH2:40][CH2:41][CH2:42][CH3:43].[Cl-:1].[Cu:50][Br:51].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[Zn:49].[c:16]1([CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][c:30]2[c:31]([CH:32]=[O:33])[cH:34][cH:35][cH:36][cH:37]2)[cH:17][cH:18][cH:19][cH:20][cH:21]1>>[CH2:8]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH:32]([c:31]1[c:30]([CH2:29][CH2:28][CH2:27][CH2:26][CH2:25][CH2:24][CH2:23][CH2:22][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:37][cH:36][cH:35][cH:34]1)[OH:33]