HRID96046

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID84810

4-Morpholinecarbonyl chloride

C5H8ClNO2

HCID4640555

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(NC(=O)N1CCOCC1)C(=O)OCc1ccccc1

HCID178449540

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c65bcf8f9fbe414f80464d2902ba186f
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

[CH2:10]([N:11]([CH:12]([CH3:13])[CH3:14])[CH:15]([CH3:16])[CH3:17])[CH3:18].[CH2:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[O:37][C:38]([CH:39]([NH2:40])[CH:41]([CH3:42])[CH3:43])=[O:44].[CH2:45]([Cl:46])[Cl:47].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[O:1]1[CH2:2][CH2:3][N:4]([C:7](=[O:8])[Cl:9])[CH2:5][CH2:6]1.[c:19]1([CH3:20])[cH:21][cH:22][c:23]([S:24]([OH:25])(=[O:26])=[O:27])[cH:28][cH:29]1>>[O:1]1[CH2:2][CH2:3][N:4]([C:7](=[O:8])[NH:40][CH:39]([C:38]([O:37][CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)=[O:44])[CH:41]([CH3:42])[CH3:43])[CH2:5][CH2:6]1