HRID1541830

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

结构：c1ccc([P+](CC2OCCO2)(c2ccccc2)c2ccccc2)cc1

HCID2724195

未命名化合物

结构：Cc1oc(-c2ccccc2)nc1CCC(=O)c1ccc(C=O)cc1

HCID14456655

4-[3-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]benzaldehyde

C20H17NO3

PRODUCTS

生成物

结构：Cc1oc(-c2ccccc2)nc1CCC(=O)c1ccc(C=CC2OCCO2)cc1

HCID54558182

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-433d52a24a6c4361a7fa55b3b29fb8cd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br-:1].[CH3:29][c:30]1[c:31]([CH2:41][CH2:42][C:43](=[O:44])[c:45]2[cH:46][cH:47][c:48]([CH:49]=[O:50])[cH:51][cH:52]2)[n:32][c:33](-[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[o:34]1.[CH3:54][N:55]([CH3:56])[CH:57]=[O:58].[ClH:53].[H-:27].[Na+:28].[O:2]1[CH:3]([CH2:7][P+:8]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[O:4][CH2:5][CH2:6]1.[OH2:59]>>[O:2]1[CH:3]([CH:7]=[CH:54][c:48]2[cH:47][cH:46][c:45]([C:43]([CH2:42][CH2:41][c:31]3[c:30]([CH3:29])[o:34][c:33](-[c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[n:32]3)=[O:44])[cH:52][cH:51]2)[O:4][CH2:5][CH2:6]1