HRID136830

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID85624

3-Phenyl-5-methylisoxazole-4-carbonyl chloride

C11H8ClNO2

HCID22048877

未命名化合物

PRODUCTS

生成物

结构：Cc1onc(-c2ccccc2)c1C(=O)OCCCN1CCC(c2cccc(NC(=O)C(C)C)c2)CC1

HCID22049021

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f90aa89f93b4464682bc723fb8fdd457
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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