HRID318458

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

HCID53819767

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

HCID53819767

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06d1cf9731cd4ff2b5bf3b8ba018584d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:30][c:31]2[cH:32][cH:33][c:34]([C:35](=[O:36])[O:37][CH3:38])[cH:39][cH:40]2)[c:7]([CH:10]=[C:11]2[N:12]([CH2:22][c:23]3[c:24]([CH3:29])[n:25][o:26][c:27]3[CH3:28])[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:47][CH2:48][c:49]1[c:50]([CH3:51])[n:52][o:53][c:54]1[CH3:55].[ClH:56].[K+:41].[K+:42].[O-:43][C:44]([O-:45])=[O:46].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:30][c:31]2[cH:32][cH:33][c:34]([C:35](=[O:36])[O:37][CH3:38])[cH:39][cH:40]2)[c:7]([CH:10]=[C:11]2[N:12]([CH2:22][c:23]3[c:24]([CH3:29])[n:25][o:26][c:27]3[CH3:28])[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:47]