HRID694858

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3283

Diethyl Ether

C4H10O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID18358

3-(Chloromethyl)pyridine

C6H6ClN

HCID4640555

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(NC(=O)c1cccnc1)C(=O)OCc1ccccc1

HCID22910108

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16fa1b50e09d4a1f810b240d8d719ec3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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