HRID2331290

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID79177

Acetic acid, bromo-, 1,1-dimethylethyl ester

C6H11BrO2

HCID104967

Cesium(1+)

Cs+

2 次

HCID22400412

(1-Methoxyethyl)(trimethyl)silane

C6H16OSi

结构：C=C(C)C1NC(=O)CC(c2cccc(Cl)c2)C12C(=O)Nc1cc(Cl)ccc12

HCID77580308

未命名化合物

PRODUCTS

生成物

HCID22400412

(1-Methoxyethyl)(trimethyl)silane

C6H16OSi

结构：C=C(C)C1N(CC(=O)OC(C)(C)C)C(=O)CC(c2cccc(Cl)c2)C12C(=O)Nc1cc(Cl)ccc12

HCID77580262

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c1fed04a6d6a4c84897a6aadc0be9c0d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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