HRID302861

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID1140

Toluene

C7H8

HCID8082

Piperidine

C5H11N

HCID10757106

4-[2-(5-Methyl-2-phenyloxazol-4-yl)ethoxy]benzaldehyde

C19H17NO3

结构：CC(C)OC(=O)CC(=O)OCc1ccc([N+](=O)[O-])cc1

HCID22013895

未命名化合物

PRODUCTS

生成物

结构：Cc1oc(-c2ccccc2)nc1CCOc1ccc(C=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)C(=O)OC(C)C)cc1

HCID70224823

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d71cf1d8cf34b57905bb960d45b45c9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:24]([CH2:25][C:26](=[O:27])[O:28][CH:29]([CH3:30])[CH3:31])(=[O:32])[O:33][CH2:34][c:35]1[cH:36][cH:37][c:38]([N+:41](=[O:42])[O-:43])[cH:39][cH:40]1.[CH2:48]1[CH2:49][CH2:50][NH:51][CH2:52][CH2:53]1.[CH3:1][c:2]1[c:3]([CH2:13][CH2:14][O:15][c:16]2[cH:17][cH:18][c:19]([CH:20]=[O:21])[cH:22][cH:23]2)[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1.[CH3:44][C:45](=[O:46])[OH:47].[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1>>[CH3:1][c:2]1[c:3]([CH2:13][CH2:14][O:15][c:16]2[cH:17][cH:18][c:19]([CH:20]=[C:25]([C:24](=[O:32])[O:33][CH2:34][c:35]3[cH:36][cH:37][c:38]([N+:41](=[O:42])[O-:43])[cH:39][cH:40]3)[C:26](=[O:27])[O:28][CH:29]([CH3:30])[CH3:31])[cH:22][cH:23]2)[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1