HRID1561419

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID2773342

[4-(Cyanomethyl)phenyl]boronic acid

C8H8BNO2

HCID67545637

未命名化合物

PRODUCTS

产物

HCID66697345

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5210b3e17cf0451d952b4c6c51f9a677
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

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