HRID1223444

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID2736894

5-Methylisoxazole-3-carbonyl chloride

C5H4ClNO2

结构：CC(=O)N1c2ccc(NC(=O)c3ccccc3O)cc2C(C)(c2ccccc2)CC1(C)C

HCID17962902

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1c2ccc(NC(=O)c3ccccc3OC(=O)c3cc(C)on3)cc2C(C)(c2ccccc2)CC1(C)C

HCID17962921

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d19c9f429e6f473fa6fa2e2c78ac8d5e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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