HRID112697

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID14230278

未命名化合物

HCID14722550

未命名化合物

PRODUCTS

生成物

结构：CC1(C)NC(=O)C2CN(CCCC=C(c3ccc(F)cc3)c3ccc(F)cc3)CCN21

HCID14722547

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9bfc8cd2101947d794f76c604e7fca16
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

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