HRID2156365

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8119

Hexamethyleneimine

C6H13N

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(=O)c1ccc(N2CCN(C(=O)c3cc(C#N)ccc3Br)CC2)c(F)c1

HCID59793521

未命名化合物

PRODUCTS

生成物

结构：CC(=O)c1ccc(N2CCN(C(=O)c3cc(C#N)ccc3N3CCCCCC3)CC2)c(F)c1

HCID59793714

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f1b7d6d0bfb4aac8addfdf9e7da6e90
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

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