HRID1558732

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID12648641

2,6-Dibromobenzaldehyde

C7H4Br2O

HCID59548545

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc2c(c1)OCCN(c1cccc(Br)c1C=O)C2=O

HCID59548535

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-914815a170354d0997913f9105d0e04a
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:17][c:18]1[c:19]([CH:20]=[O:21])[c:22]([Br:26])[cH:23][cH:24][cH:25]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]2[c:8]([cH:15][cH:16]1)[C:9](=[O:14])[NH:10][CH2:11][CH2:12][O:13]2.[C:27](=[O:28])([O-:29])[O-:30].[CH3:33][CH2:34][O:35][C:36](=[O:37])[CH3:38].[Cs+:31].[Cs+:32].[O:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[OH2:45]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]2[c:8]([cH:15][cH:16]1)[C:9](=[O:14])[N:10]([c:22]1[c:19]([CH:20]=[O:21])[c:18]([Br:17])[cH:25][cH:24][cH:23]1)[CH2:11][CH2:12][O:13]2