HRID1564203

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

4 次

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID2724942

未命名化合物

HCID2757009

6-bromopyridine-2-carbaldehyde

C6H4BrNO

HCID28063156

1-[3-(Propan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine

C6H11N3O

PRODUCTS

生成物

HCID59525790

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-958239782b1d4a38864d049d98a1cdf6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]([CH:8]=[O:9])[n:7]1.[C:20]([O:21][BH-:22]([O:23][C:24](=[O:25])[CH3:26])[O:27][C:28](=[O:29])[CH3:30])(=[O:31])[CH3:32].[C:34](=[O:35])([OH:36])[O-:37].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[CH:10]([CH3:11])([CH3:12])[c:13]1[n:14][o:15][c:16]([CH2:18][NH2:19])[n:17]1.[Cl:45][CH:46]([Cl:47])[CH3:48].[Na+:33].[Na+:38].[Na+:39].[Na+:40].[O-:41][C:42](=[O:43])[O-:44]>>[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]([CH2:8][NH:19][CH2:18][c:16]2[o:15][n:14][c:13]([CH:10]([CH3:11])[CH3:12])[n:17]2)[n:7]1