HRID1122998

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID67879

Benzoyl chloride, 4-fluoro-

C7H4ClFO

HCID81531

Diisopropylethylamine

C8H19N

结构：COc1ccc(C(=O)N(C)C2CNCC2c2ccc(Cl)cc2)cc1C(F)(F)F

HCID67025659

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)N(C)C2CN(C(=O)c3ccc(F)cc3)CC2c2ccc(Cl)cc2)cc1C(F)(F)F

HCID67025927

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6fe25217a8cd4e5788b48390134ea218
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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