HRID97217

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

2 次

HCID904

N-Acetylaminobenzene

C8H9NO

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID112414

Ethanamine, 2-(2-methoxyethoxy)-N,N-bis[2-(2-methoxyethoxy)ethyl]-

C15H33NO6

HCID21281078

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N(c1ccccc1)c1cc(COCC(C)(C)C(F)F)ccc1F

HCID21281089

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80b735592fa142f4bb443dc95143d8c1
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

[C:18]([CH3:19])(=[O:20])[NH:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[C:29](=[O:30])([O-:31])[O-:32].[CH3:35][O:36][CH2:37][CH2:38][O:39][CH2:40][CH2:41][N:42]([CH2:43][CH2:44][O:45][CH2:46][CH2:47][O:48][CH3:49])[CH2:50][CH2:51][O:52][CH2:53][CH2:54][O:55][CH3:56].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[Cl-:28].[F:1][CH:2]([C:3]([CH2:4][O:5][CH2:6][c:7]1[cH:8][c:9]([Br:14])[c:10]([F:13])[cH:11][cH:12]1)([CH3:15])[CH3:16])[F:17].[K+:33].[K+:34]>>[F:1][CH:2]([C:3]([CH2:4][O:5][CH2:6][c:7]1[cH:8][c:9]([N:21]([C:18]([CH3:19])=[O:20])[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:10]([F:13])[cH:11][cH:12]1)([CH3:15])[CH3:16])[F:17]