HRID105235

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID57415824

1-(5-Fluoropyridin-2-yl)ethan-1-amine

C7H9FN2

结构：Cc1ccc(-c2cc(C(=O)O)cc(-c3ncccc3F)c2)nc1

HCID68496637

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2cc(C(=O)NC(C)c3ccc(F)cn3)cc(-c3ncccc3F)c2)nc1

HCID74435937

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-482d533893b2453c81db290b1ef57151
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:37]([Cl:38])[CH2:39][Cl:40].[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[Cl-:2].[ClH:26].[F:27][c:28]1[cH:29][cH:30][c:31]([CH:34]([CH3:35])[NH2:36])[n:32][cH:33]1.[F:3][c:4]1[c:5](-[c:10]2[cH:11][c:12]([C:13](=[O:14])[OH:15])[cH:16][c:17](-[c:19]3[n:20][cH:21][c:22]([CH3:25])[cH:23][cH:24]3)[cH:18]2)[n:6][cH:7][cH:8][cH:9]1.[Na+:1].[OH:41][n:42]1[c:43]2[c:44]([cH:45][cH:46][cH:47][cH:48]2)[n:49][n:50]1>>[F:3][c:4]1[c:5](-[c:10]2[cH:11][c:12]([C:13](=[O:15])[NH:36][CH:34]([c:31]3[cH:30][cH:29][c:28]([F:27])[cH:33][n:32]3)[CH3:35])[cH:16][c:17](-[c:19]3[n:20][cH:21][c:22]([CH3:25])[cH:23][cH:24]3)[cH:18]2)[n:6][cH:7][cH:8][cH:9]1