HRID2127291

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID31275

1,4-Dioxane

C4H8O2

HCID639844

Methyl indole-6-carboxylate

C10H9NO2

结构：COC(=O)c1ccc2c(C3CCCCC3)c(Br)[nH]c2c1

HCID11175076

Methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate

C16H18BrNO2

结构：COc1ccc(B(O)O)c(CO[Si](C(C)C)(C(C)C)C(C)C)c1

HCID67345879

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc(OC)cc3CO[Si](C(C)C)(C(C)C)C(C)C)[nH]c2c1

HCID67345419

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b951757c78e4f31a7b661188d4adcd4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:57](=[O:58])([O-:59])[O-:60].[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]2[c:9]([CH:15]3[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]3)[c:10]([Br:14])[nH:11][c:12]2[cH:13]1.[CH3:34][O:35][c:36]1[cH:37][c:38]([CH2:45][O:46][Si:47]([CH:48]([CH3:49])[CH3:50])([CH:51]([CH3:52])[CH3:53])[CH:54]([CH3:55])[CH3:56])[c:39]([B:42]([OH:43])[OH:44])[cH:40][cH:41]1.[Na+:61].[Na+:62].[O:63]1[CH2:64][CH2:65][O:66][CH2:67][CH2:68]1.[Pd:69]([Cl:70])[Cl:71].[c:72]1([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[cH:86][cH:87][cH:88][cH:89][cH:90]1.[c:91]1([P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[cH:105][cH:106][cH:107][cH:108][cH:109]1.[nH:21]1[c:22]2[c:23]([cH:24][cH:25][c:26]([C:27]([O:28][CH3:29])=[O:30])[cH:31]2)[cH:32][cH:33]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]2[c:9]([CH:15]3[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]3)[c:10](-[c:39]3[c:38]([CH2:45][O:46][Si:47]([CH:48]([CH3:49])[CH3:50])([CH:51]([CH3:52])[CH3:53])[CH:54]([CH3:55])[CH3:56])[cH:37][c:36]([O:35][CH3:34])[cH:41][cH:40]3)[nH:11][c:12]2[cH:13]1