HRID284493

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID9605

p-Fluoroiodobenzene

C6H4FI

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID58508624

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1ccc(CCc2ccccc2)cc1Nc1ccc(F)cc1

HCID68959395

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b44b9b8c69b485a8347735105194be1
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

[C:38](=[O:39])([O-:40])[O-:41].[C:44]([O-:45])(=[O:46])[CH3:47].[C:49]([O-:50])(=[O:51])[CH3:52].[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[Cs+:42].[Cs+:43].[F:30][c:31]1[cH:32][cH:33][c:34]([I:37])[cH:35][cH:36]1.[NH2:8][c:9]1[c:10]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[cH:18][cH:19][c:20]([CH2:22][CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:21]1.[OH2:53].[Pd+2:48]>>[NH:8]([c:9]1[c:10]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[cH:18][cH:19][c:20]([CH2:22][CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:21]1)[c:34]1[cH:33][cH:32][c:31]([F:30])[cH:36][cH:35]1