HRID98878

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID11150146

3-Bromomethyl-5-(5-chloro-thiophen-2-yl)-isoxazole

C8H5BrClNOS

结构：COC(=O)CCc1c(C)[nH]c(C(=O)NC2CCN(C(C)C)CC2)c1C

HCID69289368

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCc1c(C)c(C(=O)NC2CCN(C(C)C)CC2)n(Cc2cc(-c3ccc(Cl)s3)on2)c1C

HCID69288008

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-525dea4aabab4e20bcf741c022dc6948
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

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