HRID302875

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID302154

3-(chloromethyl)-5-phenyl-1,2,4-oxadiazole

C9H7ClN2O

结构：CCOC(=O)CCCCC(=NOCc1ccc(O)cc1)c1ccccc1

HCID54296095

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCCCC(=NOCc1ccc(OCc2noc(-c3ccccc3)n2)cc1)c1ccccc1

HCID53983118

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6065ee83dbf946be8a3738c83f8d4613
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

[C:40](=[O:41])([O-:42])[O-:43].[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[Cl:1][CH2:2][c:3]1[n:4][o:5][c:6](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[n:7]1.[K+:44].[K+:45].[OH2:51].[OH:14][c:15]1[cH:16][cH:17][c:18]([CH2:19][O:20][N:21]=[C:22]([CH2:23][CH2:24][CH2:25][CH2:26][C:27](=[O:28])[O:29][CH2:30][CH3:31])[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:38][cH:39]1>>[CH2:2]([c:3]1[n:4][o:5][c:6](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[n:7]1)[O:14][c:15]1[cH:16][cH:17][c:18]([CH2:19][O:20][N:21]=[C:22]([CH2:23][CH2:24][CH2:25][CH2:26][C:27](=[O:28])[O:29][CH2:30][CH3:31])[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:38][cH:39]1