HRID662598

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7839

1,2-Dibromoethane

C2H4Br2

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID68157

Oxazoline

C3H5NO

HCID102754

(2-Bromopropyl)benzene

C9H11Br

HCID5462224

Magnesium

HCID11097455

4,5-Dihydro-4,4-dimethyl-2-(2,4,5-trimethoxyphenyl)oxazole

C14H19NO4

PRODUCTS

生成物

结构：COc1cc(C2=NC(C)(C)CO2)c(C(C)Cc2ccccc2)cc1OC

HCID59598710

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-20080ee50526421b8ab7445392a6bca7
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:2][CH2:3][CH2:4][Br:5].[Br:6][CH:7]([CH2:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[CH3:15].[C:45]([O:46][CH2:47][CH3:48])(=[O:49])[CH3:50].[CH3:21][C:22]1([CH3:39])[N:23]=[C:24]([c:27]2[c:28]([O:37][CH3:38])[cH:29][c:30]([O:35][CH3:36])[c:31]([O:33][CH3:34])[cH:32]2)[O:25][CH2:26]1.[CH3:51][CH2:52][CH2:53][CH2:54][CH2:55][CH3:56].[Mg:1].[O:16]1[CH2:17][CH2:18][N:19]=[CH:20]1.[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1>>[CH:7]([CH2:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)([CH3:15])[c:28]1[c:27]([C:24]2=[N:23][C:22]([CH3:21])([CH3:39])[CH2:26][O:25]2)[cH:32][c:31]([O:33][CH3:34])[c:30]([O:35][CH3:36])[cH:29]1