HRID176037

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(-c2cncc(CC(=O)OC)c2)cc1)c1ccc(OS(=O)(=O)C(F)(F)F)c(C)c1

HCID57709113

未命名化合物

PRODUCTS

生成物

结构：CCC(O)(C#Cc1ccc(C(CC)(CC)c2ccc(-c3cncc(CC(=O)OC)c3)cc2)cc1C)CC

HCID57443527

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b48282a3cba94313aa4e99110ad077c4
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

[C:49](=[O:50])([OH:51])[O-:52].[CH2:1]([CH3:2])[C:3]([C:4]#[CH:5])([CH2:6][CH3:7])[OH:8].[CH3:12][O:13][C:14]([CH2:15][c:16]1[cH:17][n:18][cH:19][c:20](-[c:22]2[cH:23][cH:24][c:25]([C:28]([CH2:29][CH3:30])([c:31]3[cH:32][c:33]([CH3:45])[c:34]([O:37][S:38]([C:39]([F:40])([F:41])[F:42])(=[O:43])=[O:44])[cH:35][cH:36]3)[CH2:46][CH3:47])[cH:26][cH:27]2)[cH:21]1)=[O:48].[CH3:54][CH2:55][N:56]([CH2:57][CH3:58])[CH2:59][CH3:60].[Cl:9][CH2:10][Cl:11].[Cu:61][I:62].[Na+:53]>>[CH2:1]([CH3:2])[C:3]([C:4]#[C:5][c:34]1[c:33]([CH3:45])[cH:32][c:31]([C:28]([c:25]2[cH:24][cH:23][c:22](-[c:20]3[cH:19][n:18][cH:17][c:16]([CH2:15][C:14]([O:13][CH3:12])=[O:48])[cH:21]3)[cH:27][cH:26]2)([CH2:29][CH3:30])[CH2:46][CH3:47])[cH:36][cH:35]1)([CH2:6][CH3:7])[OH:8]