HRID2127897

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID2734657

4-Acetamidophenylboronic acid

C8H10BNO3

HCID67335776

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1ccc(-c2cnc3sc(Oc4ccc(F)cc4)nn23)cc1

HCID67335431

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b75913eed7a74da8aed1cb4235e99e17
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

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.[CH2:88]([O:89][CH2:90][CH3:91])[CH3:92].[Cl:44][CH2:45][Cl:46].[Cs+:35].[Cs+:36].[F:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[n:8][n:9]3[c:10]([s:11]2)[n:12][cH:13][c:14]3[I:15])[cH:16][cH:17]1.[OH2:37].[Pd:47]([Cl:48])[Cl:49].[c:50]1([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65][cH:66][cH:67][cH:68]1.[c:69]1([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[cH:83][cH:84][cH:85][cH:86][cH:87]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[n:8][n:9]3[c:10]([s:11]2)[n:12][cH:13][c:14]3-[c:25]2[cH:24][cH:23][c:22]([NH:21][C:18]([CH3:19])=[O:20])[cH:27][cH:26]2)[cH:16][cH:17]1