HRID2140054

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

3 次

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID11255265

未命名化合物

HCID14221818

tert-Butyl [2-(4-bromophenyl)ethyl]carbamate

C13H18BrNO2

PRODUCTS

生成物

结构：COc1ccc2nccc(-c3ccc(CCNC(=O)OC(C)(C)C)cc3)c2n1

HCID57938632

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a431ab6ddb44639a9a1adec7f4e5609
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:29](=[O:30])([O-:31])[O-:32].[C:35]([CH3:36])([CH3:37])([CH3:38])[O:39][C:40]([NH:41][CH2:42][CH2:43][c:44]1[cH:45][cH:46][c:47]([Br:50])[cH:48][cH:49]1)=[O:51].[CH3:1][O:2][c:3]1[n:4][c:5]2[c:6]([O:13][S:14]([C:15]([F:16])([F:17])[F:18])(=[O:19])=[O:20])[cH:7][cH:8][n:9][c:10]2[cH:11][cH:12]1.[CH3:22][C:23](=[O:24])[O-:25].[Cl:26][CH2:27][Cl:28].[K+:21].[K+:33].[K+:34].[O:52]1[CH2:53][CH2:54][O:55][CH2:56][CH2:57]1>>[CH3:1][O:2][c:3]1[n:4][c:5]2[c:6](-[c:47]3[cH:46][cH:45][c:44]([CH2:43][CH2:42][NH:41][C:40]([O:39][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:51])[cH:49][cH:48]3)[cH:7][cH:8][n:9][c:10]2[cH:11][cH:12]1