HRID108966

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2383

Ethanamine, 2-methoxy-N-(2-methoxyethyl)-

C6H15NO2

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)Nc1cccnc1N1CCN(C(=O)c2ccc(C(=O)O)cc2)CC1

HCID10959558

未命名化合物

PRODUCTS

生成物

结构：COCCN(CCOC)C(=O)c1ccc(C(=O)N2CCN(c3ncccc3NC(C)C)CC2)cc1

HCID54121120

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13c26241cd9e4509a70f1d8fe36da51b
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

[C:28]([Cl:29])(=[O:30])[C:31]([CH3:32])([CH3:33])[CH3:34].[CH2:53]([Cl:54])[Cl:55].[CH3:44][O:45][CH2:46][CH2:47][NH:48][CH2:49][CH2:50][O:51][CH3:52].[CH3:56][CH2:57][N:58]([CH2:59][CH3:60])[CH2:61][CH3:62].[CH:1]([CH3:2])([CH3:3])[NH:4][c:5]1[c:6]([N:11]2[CH2:12][CH2:13][N:14]([C:17](=[O:18])[c:19]3[cH:20][cH:21][c:22]([C:23](=[O:24])[OH:25])[cH:26][cH:27]3)[CH2:15][CH2:16]2)[n:7][cH:8][cH:9][cH:10]1.[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43]>>[CH:1]([CH3:2])([CH3:3])[NH:4][c:5]1[c:6]([N:11]2[CH2:12][CH2:13][N:14]([C:17](=[O:18])[c:19]3[cH:20][cH:21][c:22]([C:23](=[O:24])[N:48]([CH2:47][CH2:46][O:45][CH3:44])[CH2:49][CH2:50][O:51][CH3:52])[cH:26][cH:27]3)[CH2:15][CH2:16]2)[n:7][cH:8][cH:9][cH:10]1