HRID687525

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID2734368

2-Methoxy-5-pyridineboronic acid

C6H8BNO3

结构：Cc1c(Br)c2c(c(C)c1NC(=O)CC(C)(C)C)C(c1ccc(C(C)C)cc1)CO2

HCID23113867

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2c(C)c(NC(=O)CC(C)(C)C)c(C)c3c2OCC3c2ccc(C(C)C)cc2)cn1

HCID23114024

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5709f2180e5d4eb5bdf57dcb00ad7d3d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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