HRID99236

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

HCID2734368

2-Methoxy-5-pyridineboronic acid

C6H8BNO3

结构：CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2oc3ccc(Br)cc3c2C)C2CCCCC2)cc1

HCID66778109

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2oc3ccc(-c4ccc(OC)nc4)cc3c2C)C2CCCCC2)cc1

HCID66777333

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eddd7f718c0c434290e689f3ca873b32
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([c:7]([CH3:35])[c:8]([CH:10]([CH:11]3[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]3)[NH:17][c:18]3[cH:19][cH:20][c:21]([C:24](=[O:25])[N:26]([CH2:27][CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33])[CH3:34])[cH:22][cH:23]3)[o:9]2)[cH:36]1.[C:48](=[O:49])([O-:50])[O-:51].[CH3:37][O:38][c:39]1[cH:40][cH:41][c:42]([B:45]([OH:46])[OH:47])[cH:43][n:44]1.[CH3:54][N:55]([CH3:56])[C:57](=[O:58])[CH3:59].[K+:52].[K+:53]>>[c:2]1(-[c:42]2[cH:41][cH:40][c:39]([O:38][CH3:37])[n:44][cH:43]2)[cH:3][cH:4][c:5]2[c:6]([c:7]([CH3:35])[c:8]([CH:10]([CH:11]3[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]3)[NH:17][c:18]3[cH:19][cH:20][c:21]([C:24](=[O:25])[N:26]([CH2:27][CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33])[CH3:34])[cH:22][cH:23]3)[o:9]2)[cH:36]1