HRID700602

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID8258

2-Methyl-3-butyn-2-ol

C5H8O

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID24350

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

CuI

HCID19694337

未命名化合物

PRODUCTS

生成物

结构：C#CC(C)(O)Cc1cncc(C2CCCN2C(=O)OC(C)(C)C)c1

HCID19694323

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dec8bdf1fe0d4165bc2ee3e93a2327f9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([CH:8]2[N:9]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:10][CH2:11][CH2:12]2)[cH:5][n:6][cH:7]1.[C:39](=[O:40])([O-:41])[O-:42].[CH3:45][C:46]([CH3:47])([C:48]#[CH:49])[OH:50].[CH3:51][O:52][CH2:53][CH2:54][O:55][CH3:56].[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[Cu:58][I:59].[K+:43].[K+:44].[OH2:57].[c:20]1([P:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[c:2]1([CH2:45][C:46]([CH3:47])([C:48]#[CH:49])[OH:50])[cH:3][c:4]([CH:8]2[N:9]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:10][CH2:11][CH2:12]2)[cH:5][n:6][cH:7]1