HRID701860

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID93763

1,1'-(4-Bromobutylidene)bis(4-fluorobenzene)

C16H15BrF2

HCID14390912

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccccc1)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN1C(=O)c1ccccc1

HCID14390913

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed82f3c4e97c42ba83317773414738a9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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