HRID1564752

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

HCID601880

3-(Methoxycarbonyl)benzoic acid

C9H8O4

HCID16781426

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cccc(C(=O)N(C)Cc2ccc(F)c(Br)c2)c1

HCID57813368

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-803fa5a0a6984804a54bd4efaa0fed41
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

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