HRID281834

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID117915

1-Bromo-4-methoxy-2-methylbenzene

C8H9BrO

HCID14792358

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc2sc(-c3ccc(OC)cc3C)cc2c1

HCID57443339

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08ad9ccc0c0a48be83e2ebc0f5df9c27
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:26][c:27]1[c:28]([CH3:35])[cH:29][c:30]([O:33][CH3:34])[cH:31][cH:32]1.[C:1](=[O:2])([O-:3])[O-:4].[CH2:36]([CH3:37])[O:38][C:39](=[O:40])[c:41]1[cH:42][c:43]2[c:44]([s:45][cH:46][cH:47]2)[cH:48][cH:49]1.[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[Cs+:5].[Cs+:6].[Cu:50][I:51].[O-:53][C:54]([CH3:55])=[O:56].[O-:57][C:58]([CH3:59])=[O:60].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:67].[Pd+2:52].[c:7]1([P:8]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:21][cH:22][cH:23][cH:24][cH:25]1>>[c:27]1(-[c:46]2[s:45][c:44]3[c:43]([cH:42][c:41]([C:39]([O:38][CH2:36][CH3:37])=[O:40])[cH:49][cH:48]3)[cH:47]2)[c:28]([CH3:35])[cH:29][c:30]([O:33][CH3:34])[cH:31][cH:32]1