HRID2347244

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID10898

2-Bromo-1-ethanol

C2H5BrO

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

结构：CCOC(=O)C(Nc1ccc(C#N)cc1)c1cc(OCC)cc(OC2CCNCC2)c1F

HCID69923727

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(Nc1ccc(C#N)cc1)c1cc(OCC)cc(OC2CCN(CCO)CC2)c1F

HCID69924307

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fdbf1815cc7a4460a3d2033d35775117
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:40][CH2:41][CH2:42][OH:43].[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([c:6]1[c:7]([F:22])[c:8]([O:15][CH:16]2[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]2)[cH:9][c:10]([O:12][CH2:13][CH3:14])[cH:11]1)[NH:23][c:24]1[cH:25][cH:26][c:27]([C:30]#[N:31])[cH:28][cH:29]1)=[O:32].[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH2:50]([N+:51]([CH2:52][CH2:53][CH2:54][CH3:55])([CH2:56][CH2:57][CH2:58][CH3:59])[CH2:60][CH2:61][CH2:62][CH3:63])[CH2:64][CH2:65][CH3:66].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[I-:49]>>[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([c:6]1[c:7]([F:22])[c:8]([O:15][CH:16]2[CH2:17][CH2:18][N:19]([CH2:41][CH2:42][OH:43])[CH2:20][CH2:21]2)[cH:9][c:10]([O:12][CH2:13][CH3:14])[cH:11]1)[NH:23][c:24]1[cH:25][cH:26][c:27]([C:30]#[N:31])[cH:28][cH:29]1)=[O:32]