HRID1542779

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID2734657

4-Acetamidophenylboronic acid

C8H10BNO3

HCID67334575

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1ccc(-c2cnc3sc(Nc4ccc(F)cc4)nn23)cc1

HCID67336560

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-608ab08b1d094af793399fc2ca816f99
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

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