HRID2158671

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734368

2-Methoxy-5-pyridineboronic acid

C6H8BNO3

结构：CC(c1ccc(Br)cc1)N1CCC(CCC(N)=O)(c2ccccc2)OC1=O

HCID72344434

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2ccc(C(C)N3CCC(CCC(N)=O)(c4ccccc4)OC3=O)cc2)cn1

HCID91256893

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4bafbfe330504aa1a4b7054ad9b2d233
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

[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH3:9])[N:10]2[C:11](=[O:27])[O:12][C:13]([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)([CH2:22][CH2:23][C:24](=[O:25])[NH2:26])[CH2:14][CH2:15]2)[cH:6][cH:7]1.[CH3:28][O:29][c:30]1[cH:31][cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][n:35]1>>[c:2]1(-[c:33]2[cH:32][cH:31][c:30]([O:29][CH3:28])[n:35][cH:34]2)[cH:3][cH:4][c:5]([CH:8]([CH3:9])[N:10]2[C:11](=[O:27])[O:12][C:13]([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)([CH2:22][CH2:23][C:24](=[O:25])[NH2:26])[CH2:14][CH2:15]2)[cH:6][cH:7]1