HRID1215918

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID96590

4-Isoxazolecarbonyl chloride, 3-(2-chlorophenyl)-5-methyl-

C11H7Cl2NO2

HCID22048814

未命名化合物

PRODUCTS

产物

HCID20723014

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-73e79755ee584c42a784b93d35d3f35b
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

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