HRID680162

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID19660

Carbonate

CO3-2

HCID316888

ethyl 4-bromopentanoate

C7H13BrO2

HCID4178773

2-(Methylthio)benzo[d]oxazole

C8H7NOS

HCID13314819

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCC(C)Oc1ccc(N(C)c2nc3cc(Cl)ccc3o2)cc1

HCID20553513

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ecf6d1248ea0440c8367dfd5956c2edd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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