HRID2157110

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID78212

3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride

C11H6Cl3NO2

结构：CC(C)C(=O)Nc1cccc(C2CCN(CCCCCCO)CC2)c1

HCID22049040

未命名化合物

PRODUCTS

生成物

结构：Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)OCCCCCCN1CCC(c2cccc(NC(=O)C(C)C)c2)CC1

HCID22048795

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51915d03608343fe9669938d2e136a79
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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