HRID1206055

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7505

Benzonitrile

C7H5N

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID99169

Ethyl pent-2-yn-1-oate

C7H10O2

HCID11032730

1-iodo-4-(methoxymethoxy)benzene

C8H9IO2

PRODUCTS

生成物

结构：CCOC(=O)C(=C(CC)c1ccccc1)c1ccc(OCOC)cc1

HCID76594983

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a051acfafecc41d1a841bf9455311eb3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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