HRID122953

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID85624

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

C11H8ClNO2

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(-c2ccccc2)c1C(=O)OCCCCCCN1CCC(c2cccc(NC(=O)C(C)C)c2)CC1

HCID22049443

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b131b13c3a4d4cbdb80fc8080cbe8a4e
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

[CH3:26][c:27]1[c:28]([C:38](=[O:39])[Cl:40])[c:29](-[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[n:30][o:31]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:38]([c:28]1[c:27]([CH3:26])[o:31][n:30][c:29]1-[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)=[O:39]