HRID1201714

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID28179

Fluoride

F-

HCID83795

1-Acetylpiperazine

C6H12N2O

结构：Cn1ncc2c(F)c(Cc3cnc4ccc(Cl)nn34)c(F)cc21

HCID58147534

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCN(c2ccc3ncc(Cc4c(F)cc5c(cnn5C)c4F)n3n2)CC1

HCID50913160

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ead2537ff7cb4a4fab57354136eee6e0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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