HRID1138016

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

HCID18358

3-(Chloromethyl)pyridine

C6H6ClN

HCID4640555

未命名化合物

HCID22910120

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-bbb08c6a232c480486c7abb1eefce653
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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].[CH3:60][CH2:61][O:62][CH2:63][CH3:64].[Cl:57][CH2:58][Cl:59].[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.[c:36]1([CH2:37][CH2:38][C:39]2([CH2:40][CH2:41][c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[CH2:48][O:49][CH2:50][O:51]2)[cH:52][cH:53][cH:54][cH:55][cH:56]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