HRID1117192

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID28179

Fluoride

F-

HCID81531

Diisopropylethylamine

C8H19N

HCID4399042

1-methylpiperazin-2-one

C5H10N2O

结构：CC(c1c(F)cc2ncccc2c1F)c1cnc2ccc(Cl)nn12

HCID58147541

未命名化合物

PRODUCTS

生成物

结构：CC(c1c(F)cc2ncccc2c1F)c1cnc2ccc(N3CCN(C)C(=O)C3)nn12

HCID50914186

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-533106b7d7e846efa65ee09a34488f31
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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