HRID92387

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID70136

4-(Chloromethyl)benzoyl chloride

C8H6Cl2O

HCID81531

Diisopropylethylamine

C8H19N

HCID57717454

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CCl)cc1

HCID57925998

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc79794eded04c159267de59114b72e8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[Cl:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[Cl:9])[cH:10][cH:11]1.[NH2:12][c:13]1[cH:14][c:15](-[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:16][cH:17][c:18]1[NH:19][C:20]([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26].[Na+:46].[O-:42][C:43]([OH:44])=[O:45]>>[Cl:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[NH:12][c:13]2[cH:14][c:15](-[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[cH:16][cH:17][c:18]2[NH:19][C:20]([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[cH:10][cH:11]1