HRID2123620

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID5128

Benzene, 1-iodo-2-methyl-

C7H7I

HCID23938

Palladium

2 次

HCID26255

Tetrafluoroborate

BF4-

HCID28179

Fluoride

F-

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

HCID4060964

未命名化合物

结构：CCOC(=O)c1cc2cccc(B3OC(C)(C)C(C)(C)O3)c2[nH]1

HCID16050160

Ethyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-2-carboxylate

C17H22BNO4

PRODUCTS

生成物

HCID68940392

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b4e5cec1a184d6fb21dfc8290a50e86
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

[B-:24]([F:25])([F:26])([F:27])[F:28].[C:29]([PH+:30]([C:31]([CH3:32])([CH3:33])[CH3:34])[C:35]([CH3:36])([CH3:37])[CH3:38])([CH3:39])([CH3:40])[CH3:41].[CH3:108][OH:109].[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][cH:11][cH:12][c:13]3[cH:14][c:15]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[nH:16][c:17]23)[O:23]1.[Cs+:43].[F-:42].[I:44][c:45]1[c:46]([CH3:51])[cH:47][cH:48][cH:49][cH:50]1.[O:110]1[CH2:111][CH2:112][O:113][CH2:114][CH2:115]1.[O:54]=[C:55]([CH:56]=[CH:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1)[CH:64]=[CH:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1.[O:72]=[C:73]([CH:74]=[CH:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1)[CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1.[O:90]=[C:91]([CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1)[CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1.[Pd:52].[Pd:53]>>[c:9]1(-[c:45]2[c:46]([CH3:51])[cH:47][cH:48][cH:49][cH:50]2)[cH:10][cH:11][cH:12][c:13]2[cH:14][c:15]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[nH:16][c:17]12