HRID181731

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID2735237

1-(4-Bromothiophen-2-yl)ethan-1-one

C6H5BrOS

结构：Cc1c(NC(=O)CC(C)(C)C)c(C)c2c(c1B(O)O)OCC2c1ccc(C(C)C)cc1

HCID23114225

未命名化合物

PRODUCTS

生成物

结构：CC(=O)c1cc(-c2c(C)c(NC(=O)CC(C)(C)C)c(C)c3c2OCC3c2ccc(C(C)C)cc2)cs1

HCID23114361

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6434c56c4f4649c6901085787625c924
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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