HRID301155

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID11745

Ethyl 2-bromoisobutyrate

C6H11BrO2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID142785

4-(Trifluoromethoxy)benzyl bromide

C8H6BrF3O

结构：Oc1ccc(CCNCc2ccc(-c3coc(C4CC4)n3)cc2)cc1

HCID69099606

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)Oc1ccc(CCNCc2ccc(-c3coc(C4CC4)n3)cc2)cc1

HCID69099794

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76d6bfe0c34849eba7521b3ddd8c8160
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:26](=[O:27])([O-:28])[O-:29].[CH2:32]([CH3:33])[O:34][C:35]([C:36]([CH3:37])([CH3:38])[Br:39])=[O:40].[CH3:54][C:55]#[N:56].[CH:1]1([c:4]2[o:5][cH:6][c:7](-[c:9]3[cH:10][cH:11][c:12]([CH2:13][NH:14][CH2:15][CH2:16][c:17]4[cH:18][cH:19][c:20]([OH:23])[cH:21][cH:22]4)[cH:24][cH:25]3)[n:8]2)[CH2:2][CH2:3]1.[Cs+:30].[Cs+:31].[F:41][C:42]([F:43])([F:44])[O:45][c:46]1[cH:47][cH:48][c:49]([CH2:50][Br:51])[cH:52][cH:53]1>>[CH:1]1([c:4]2[o:5][cH:6][c:7](-[c:9]3[cH:10][cH:11][c:12]([CH2:13][NH:14][CH2:15][CH2:16][c:17]4[cH:18][cH:19][c:20]([O:23][C:36]([C:35]([O:34][CH2:32][CH3:33])=[O:40])([CH3:37])[CH3:38])[cH:21][cH:22]4)[cH:24][cH:25]3)[n:8]2)[CH2:2][CH2:3]1