HRID1236447

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID2734333

2,3-Difluorophenylboronic acid

C6H5BF2O2

结构：C=CCC(NC(=O)OCc1ccccc1)C(=O)N(CC(=C)Br)Cc1ccc(OC)cc1OC

HCID23395533

未命名化合物

PRODUCTS

生成物

结构：C=CCC(NC(=O)OCc1ccccc1)C(=O)N(CC(=C)c1cccc(F)c1F)Cc1ccc(OC)cc1OC

HCID102475243

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46a52ac1ec7c471ca9cfdc7fc98a347f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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