HRID1135719

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

HCID2734358

Furan-3-boronic acid

C4H5BO3

结构：COc1cc2c(cc1Br)C(=CNc1ccc(N3CCN(C)CC3)cc1)C(=O)NC2=O

HCID178486408

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(cc1-c1ccoc1)C(=CNc1ccc(N3CCN(C)CC3)cc1)C(=O)NC2=O

HCID178486412

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ae37d8796a94d6da8cc5c27d036c76e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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]([N:24]2[CH2:25][CH2:26][N:27]([CH3:30])[CH2:28][CH2:29]2)[cH:22][cH:23]1.[C:39]([P:40]([C:41]([CH3:42])([CH3:43])[CH3:44])[C:45]([CH3:46])([CH3:47])[CH3:48])([CH3:49])([CH3:50])[CH3:51].[C:52](=[O:53])([O-:54])[O-:55].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[Cs+:56].[Cs+:57].[o:31]1[cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][cH:35]1>>[c:2]1(-[c:33]2[cH:32][o:31][cH:35][cH:34]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]([N:24]2[CH2:25][CH2:26][N:27]([CH3:30])[CH2:28][CH2:29]2)[cH:22][cH:23]1