HRID2332561

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID9794289

4-(chloromethyl)-5-methyl-2-phenyl-1,3-oxazole

C11H10ClNO

结构：CCOC(=O)CCc1cn(Cc2ccc3cc(O)ccc3c2)cc1-c1ccccc1

HCID23024949

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCc1cn(Cc2ccc3cc(OCc4nc(-c5ccccc5)oc4C)ccc3c2)cc1-c1ccccc1

HCID69423276

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be3c25bc5d544f61ad91199062f12214
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[Cl:33][CH2:34][c:35]1[n:36][c:37](-[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[o:38][c:39]1[CH3:40].[H-:1].[Na+:2].[OH2:47].[OH:3][c:4]1[cH:5][c:6]2[cH:7][cH:8][c:9]([CH2:14][n:15]3[cH:16][c:17]([CH2:26][CH2:27][C:28](=[O:29])[O:30][CH2:31][CH3:32])[c:18](-[c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[cH:19]3)[cH:10][c:11]2[cH:12][cH:13]1>>[O:3]([c:4]1[cH:5][c:6]2[cH:7][cH:8][c:9]([CH2:14][n:15]3[cH:16][c:17]([CH2:26][CH2:27][C:28](=[O:29])[O:30][CH2:31][CH3:32])[c:18](-[c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[cH:19]3)[cH:10][c:11]2[cH:12][cH:13]1)[CH2:34][c:35]1[n:36][c:37](-[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[o:38][c:39]1[CH3:40]