HRID104126

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID9845

Trifluoroacetic anhydride

C4F6O3

结构：CCN(Cc1cc(Br)ccc1OCc1ccccc1)c1ccc(C(N)=O)cn1

HCID22105650

未命名化合物

PRODUCTS

生成物

结构：CCN(Cc1cc(Br)ccc1OCc1ccccc1)c1ccc(C#N)cn1

HCID22105645

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d4ca708ca9f4ac695fadcb80527d464
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:14][c:15]1[cH:16][cH:17][c:18]([O:34][CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:19]([CH2:20][N:21]([CH2:22][CH3:23])[c:24]2[n:25][cH:26][c:27]([C:30](=[O:31])[NH2:32])[cH:28][cH:29]2)[cH:33]1.[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[F:1][C:2]([F:3])([F:4])[C:5]([O:6][C:7](=[O:8])[C:9]([F:10])([F:11])[F:12])=[O:13].[cH:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1>>[Br:14][c:15]1[cH:16][cH:17][c:18]([O:34][CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:19]([CH2:20][N:21]([CH2:22][CH3:23])[c:24]2[n:25][cH:26][c:27]([C:30]#[N:32])[cH:28][cH:29]2)[cH:33]1