HRID1574852

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID104967

Cesium(1+)

Cs+

2 次

HCID285645

4-Fluorophenylboronic acid

C6H6BFO2

结构：COc1cc2c(cc1Br)C(=CNc1ccc(CN3CCCCC3)cc1)C(=O)NC2=O

HCID178486407

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(cc1-c1ccc(F)cc1)C(=CNc1ccc(CN3CCCCC3)cc1)C(=O)NC2=O

HCID178486411

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2bf3866cc3274e70ab3fa677da0ffcb0
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]2[c:9]([cH:10][c:11]1[O:12][CH3:13])[C:8](=[O:14])[NH:7][C:6](=[O:15])[C:5]2=[CH:16][NH:17][c:18]1[cH:19][cH:20][c:21]([CH2:24][N:25]2[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]2)[cH:22][cH:23]1.[C:41]([P:42]([C:43]([CH3:44])([CH3:45])[CH3:46])[C:47]([CH3:48])([CH3:49])[CH3:50])([CH3:51])([CH3:52])[CH3:53].[C:54](=[O:55])([O-:56])[O-:57].[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[Cs+:58].[Cs+:59].[OH:31][B:32]([OH:33])[c:34]1[cH:35][cH:36][c:37]([F:38])[cH:39][cH:40]1>>[c:2]1(-[c:34]2[cH:35][cH:36][c:37]([F:38])[cH:39][cH:40]2)[cH:3][c:4]2[c:9]([cH:10][c:11]1[O:12][CH3:13])[C:8](=[O:14])[NH:7][C:6](=[O:15])[C:5]2=[CH:16][NH:17][c:18]1[cH:19][cH:20][c:21]([CH2:24][N:25]2[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]2)[cH:22][cH:23]1