HRID2127333

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID123572

3,4-Difluorobenzylamine

C7H7F2N

结构：COc1ccc2c(C(=O)O)c(C(C)C)n(Cc3ccccc3)c2c1

HCID59762354

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1

HCID44159276

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-60fc097757e34f7ba2bf9d56812e7bdb
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH:22]([CH3:23])[CH3:24])[c:10]([C:19](=[O:20])[OH:21])[c:11]2[cH:12][cH:13][c:14]([O:17][CH3:18])[cH:15][c:16]12.[CH2:25]([Cl:26])[CH2:27][Cl:28].[CH3:42][N:43]([c:44]1[cH:45][cH:46][n:47][cH:48][cH:49]1)[CH3:50].[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[Cl:39][CH2:40][Cl:41].[F:29][c:30]1[cH:31][c:32]([CH2:33][NH2:34])[cH:35][cH:36][c:37]1[F:38]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH:22]([CH3:23])[CH3:24])[c:10]([C:19](=[O:20])[NH:34][CH2:33][c:32]2[cH:31][c:30]([F:29])[c:37]([F:38])[cH:36][cH:35]2)[c:11]2[cH:12][cH:13][c:14]([O:17][CH3:18])[cH:15][c:16]12