HRID157554

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID66024

Benzenemethanamine, N-(1-methylethyl)-

C10H15N

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1nc(N2CCOCC2)nc(-c2ccccc2F)c1C(=O)O

HCID59421180

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(N2CCOCC2)nc(-c2ccccc2F)c1C(=O)N(Cc1ccccc1)C(C)C

HCID11604793

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e68a70671ba94880b7ec31be58ffa04d
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

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