HRID698239

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

2 次

HCID7972

4-Methylmorpholine

C5H11NO

HCID8857

Ethyl acetate

C4H8O2

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

HCID268472

未命名化合物

HCID583453

1-Cyclohexyl-1,2,3,4-tetrahydro-isoquinoline

C15H21N

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC1C(=O)N1CCc2ccccc2C1C1CCCCC1

HCID178451716

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-010bcbb5011a417aa56d8a4f0267f536
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

[C:23]([Cl:24])(=[O:25])[C:26]([CH3:27])([CH3:28])[CH3:29].[C:8]([CH3:9])([CH3:10])([CH3:11])[O:12][C:13](=[O:14])[N:15]1[CH:16]([C:17](=[O:18])[OH:19])[CH2:20][CH2:21][CH2:22]1.[CH3:1][N:2]1[CH2:3][CH2:4][O:5][CH2:6][CH2:7]1.[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[CH:31]1([CH:37]2[NH:38][CH2:39][CH2:40][c:41]3[cH:42][cH:43][cH:44][cH:45][c:46]32)[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]1.[Cl:48][CH2:49][CH2:50][Cl:51].[ClH:30].[ClH:47]>>[C:8]([CH3:9])([CH3:10])([CH3:11])[O:12][C:13](=[O:14])[N:15]1[CH:16]([C:17](=[O:19])[N:38]2[CH:37]([CH:31]3[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]3)[c:46]3[c:41]([cH:42][cH:43][cH:44][cH:45]3)[CH2:40][CH2:39]2)[CH2:20][CH2:21][CH2:22]1