HRID295803

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

HCID104967

Cesium(1+)

Cs+

2 次

HCID2776176

6-Iodo-2,3-dihydro-1,4-benzodioxine

C8H7IO2

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：CC(C)(C)OC(=O)c1ccc(C=Cc2ccc3c(c2)OCCO3)cc1Nc1ccc(F)cc1

HCID68963970

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cb59d9dcf9cc43958345ec1461a3e332
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br-:41].[C:35](=[O:36])([O-:37])[O-:38].[CH3:42][CH2:43][CH2:44][CH2:45][N+:46]([CH2:47][CH2:48][CH2:49][CH3:50])([CH2:51][CH2:52][CH2:53][CH3:54])[CH2:55][CH2:56][CH2:57][CH3:58].[CH3:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[Cs+:39].[Cs+:40].[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]2[c:28]([cH:33][cH:34]1)[O:29][CH2:30][CH2:31][O:32]2>>[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]4[c:28]([cH:33][cH:34]3)[O:29][CH2:30][CH2:31][O:32]4)[cH:19]2)[cH:22][cH:23]1