HRID667613

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID67879

Benzoyl chloride, 4-fluoro-

C7H4ClFO

HCID81531

Diisopropylethylamine

C8H19N

结构：CCCc1nc2cc(NCc3ccccc3)ccc2n1CC(=O)OC(C)(C)C

HCID67200053

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc2cc(N(Cc3ccccc3)C(=O)c3ccc(F)cc3)ccc2n1CC(=O)OC(C)(C)C

HCID67200511

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f017ae0628f040b6bf733fc6b5deeb6c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:11]([CH3:12])([CH3:13])([CH3:14])[O:15][C:16]([CH2:17][n:18]1[c:19]([CH2:35][CH2:36][CH3:37])[n:20][c:21]2[c:22]1[cH:23][cH:24][c:25]([NH:27][CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[cH:26]2)=[O:38].[CH3:48][N:49]([c:50]1[cH:51][cH:52][n:53][cH:54][cH:55]1)[CH3:56].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[Cl:57][CH2:58][Cl:59].[ClH:60].[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[Cl:8])[cH:9][cH:10]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[N:27]([c:25]2[cH:24][cH:23][c:22]3[n:18]([CH2:17][C:16]([O:15][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:38])[c:19]([CH2:35][CH2:36][CH3:37])[n:20][c:21]3[cH:26]2)[CH2:28][c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:9][cH:10]1