HRID1560494

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

HCID104967

Cesium(1+)

Cs+

2 次

HCID954261

Ethyl 4-(bromomethyl)benzoate

C10H11BrO2

结构：CC(c1cc(O)ccc1Cl)C(O)(c1ccc2c(c1)N(C)C(=O)CO2)C(F)(F)F

HCID66697195

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(COc2ccc(Cl)c(C(C)C(O)(c3ccc4c(c3)N(C)C(=O)CO4)C(F)(F)F)c2)cc1

HCID66697297

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-56a9245ea68b4e2887880eafee299f15
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

[C:42](=[O:43])([O-:44])[O-:45].[CH2:29]([CH3:30])[O:31][C:32]([c:33]1[cH:34][cH:35][c:36]([CH2:39][Br:40])[cH:37][cH:38]1)=[O:41].[CH3:49][N:50]([CH3:51])[C:52](=[O:53])[CH3:54].[Cl:1][c:2]1[c:3]([CH:9]([C:10]([C:11]([F:12])([F:13])[F:14])([OH:15])[c:16]2[cH:17][cH:18][c:19]3[c:20]([cH:27]2)[N:21]([CH3:26])[C:22](=[O:25])[CH2:23][O:24]3)[CH3:28])[cH:4][c:5]([OH:8])[cH:6][cH:7]1.[Cs+:46].[Cs+:47].[OH2:48]>>[Cl:1][c:2]1[c:3]([CH:9]([C:10]([C:11]([F:12])([F:13])[F:14])([OH:15])[c:16]2[cH:17][cH:18][c:19]3[c:20]([cH:27]2)[N:21]([CH3:26])[C:22](=[O:25])[CH2:23][O:24]3)[CH3:28])[cH:4][c:5]([O:8][CH2:39][c:36]2[cH:35][cH:34][c:33]([C:32]([O:31][CH2:29][CH3:30])=[O:41])[cH:38][cH:37]2)[cH:6][cH:7]1