HRID2156542

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID2759646

1-(4-Methoxyphenyl)cyclohexanecarbonyl chloride

C14H17ClO2

HCID58611844

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2(C(=O)Oc3ccc(C(=O)NOCc4ccccc4)cc3)CCCCC2)cc1

HCID58611851

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-832b804dea6740d4857e325522075cfd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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