HRID939069

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID88246

Isoxazole, 4-(chloromethyl)-3,5-dimethyl-

C6H8ClNO

结构：CCCCc1ncc(C=C2NC(=O)N(CCCC)C2=O)n1Cc1ccc(C(=O)OC)cc1

HCID53807178

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CCCCc1ncc(C=C2C(=O)N(CCCC)C(=O)N2Cc2c(C)noc2C)n1Cc1ccc(C(=O)OC)cc1

HCID53819767

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08d5ef94fa47409f9cdd19b891737a63
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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