HRID1536328

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID69573

p-(Trifluoromethoxy)benzaldehyde

C8H5F3O2

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

HCID21751538

未命名化合物

PRODUCTS

生成物

结构：N#CC(c1ccc(OC(F)(F)F)cc1)N1CCC(ON2C(=O)c3ccccc3C2=O)CC1

HCID67118458

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eec40b0cd0184c1f81aea049ec47844f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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