HRID2312462

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID70272

4-Chloro-N-methylaniline

C7H8ClN

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)N1CCN(CCCOc2ccc(C(=O)O)cc2F)CC1

HCID57555209

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)c1ccc(OCCCN2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1)c1ccc(Cl)cc1

HCID57555273

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e914da09bfd44b09245b53476e3564e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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