HRID2144732

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID75938

Cyclohexanecarbonyl chloride

C7H11ClO

HCID81531

Diisopropylethylamine

C8H19N

HCID76610678

未命名化合物

PRODUCTS

生成物

结构：CC1CN(C(=O)C2CCCCC2)CCN1c1nnc(Cl)c2ccccc12

HCID76610689

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f9ce9306726e4f66a31e39ca626394e9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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