HRID121446

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID1140

Toluene

C7H8

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID69839

Benzene, 1-iodo-3-methoxy-

C7H7IO

HCID104967

Cesium(1+)

Cs+

2 次

结构：C=Cc1ccc(C(=O)OC(C)(C)C)c(Nc2ccc(F)cc2)c1

HCID68959213

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(C=Cc2ccc(C(=O)OC(C)(C)C)c(Nc3ccc(F)cc3)c2)c1

HCID68960667

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be32624379804ad7b78efbe61735f197
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-:39].[C:33](=[O:34])([O-:35])[O-:36].[CH3:40][CH2:41][CH2:42][CH2:43][N+:44]([CH2:45][CH2:46][CH2:47][CH3:48])([CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH2:55][CH3:56].[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[Cs+:37].[Cs+:38].[F:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[c:8]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[cH:16][cH:17][c:18]([CH:20]=[CH2:21])[cH:19]2)[cH:22][cH:23]1.[I:24][c:25]1[cH:26][c:27]([O:31][CH3:32])[cH:28][cH:29][cH:30]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[c:8]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[cH:16][cH:17][c:18]([CH:20]=[CH:21][c:25]3[cH:26][c:27]([O:31][CH3:32])[cH:28][cH:29][cH:30]3)[cH:19]2)[cH:22][cH:23]1