HRID160827

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID11414578

Tert-butyl 4-(bromomethyl)benzoate

C12H15BrO2

结构：CCOc1ccc2c(c1)C(N)(c1ccccc1Cl)C(=O)N2

HCID19076387

未命名化合物

PRODUCTS

生成物

结构：CCOc1ccc2c(c1)C(N)(c1ccccc1Cl)C(=O)N2Cc1ccc(C(=O)OC(C)(C)C)cc1

HCID19076455

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46531881309c460c8b4355d8f396ec6c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:22][CH2:23][c:24]1[cH:25][cH:26][c:27]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[cH:35][cH:36]1.[CH3:40][CH2:41][CH2:42][CH2:43][CH2:44][CH3:45].[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[Cl:37][CH2:38][Cl:39].[NH2:1][C:2]1([c:15]2[c:16]([Cl:21])[cH:17][cH:18][cH:19][cH:20]2)[C:3](=[O:14])[NH:4][c:5]2[cH:6][cH:7][c:8]([O:11][CH2:12][CH3:13])[cH:9][c:10]21>>[NH2:1][C:2]1([c:15]2[c:16]([Cl:21])[cH:17][cH:18][cH:19][cH:20]2)[C:3](=[O:14])[N:4]([CH2:23][c:24]2[cH:25][cH:26][c:27]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[cH:35][cH:36]2)[c:5]2[cH:6][cH:7][c:8]([O:11][CH2:12][CH3:13])[cH:9][c:10]21