HRID85944

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID22698

1-Pentyn-3-ol, 3-ethyl-

C7H12O

HCID24350

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

CuI

结构：CCC(CC)(c1ccc(Br)c(C)c1)c1cc(C)c(O)c(C)c1

HCID57484762

未命名化合物

PRODUCTS

生成物

结构：CCC(O)(C#Cc1ccc(C(CC)(CC)c2cc(C)c(O)c(C)c2)cc1C)CC

HCID57443490

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f269c47133c4ca58626337d60aa15ba
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

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