HRID1126106

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID10037535

(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)boronic acid

C15H23BO2

HCID22268339

6-Bromo-5-methoxypyridine-2-carbaldehyde

C7H6BrNO2

PRODUCTS

生成物

结构：COc1ccc(C=O)nc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C

HCID22268355

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5bade22625204d9eb0688db248b6870d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[c:3]([O:10][CH3:11])[cH:4][cH:5][c:6]([CH:8]=[O:9])[n:7]1.[C:30](=[O:31])([O-:32])[O-:33].[CH3:12][c:13]1[c:14]([B:27]([OH:28])[OH:29])[cH:15][c:16]2[c:21]([cH:22]1)[C:20]([CH3:23])([CH3:24])[CH2:19][CH2:18][C:17]2([CH3:25])[CH3:26].[CH3:36][O:37][CH2:38][CH2:39][O:40][CH3:41].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[K+:34].[K+:35].[OH2:42].[Pd:49].[c:107]1([P:108]([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[cH:121][cH:122][cH:123][cH:124][cH:125]1.[c:50]1([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65][cH:66][cH:67][cH:68]1.[c:69]1([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[cH:83][cH:84][cH:85][cH:86][cH:87]1.[c:88]1([P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[cH:102][cH:103][cH:104][cH:105][cH:106]1>>[c:2]1(-[c:14]2[c:13]([CH3:12])[cH:22][c:21]3[c:16]([cH:15]2)[C:17]([CH3:25])([CH3:26])[CH2:18][CH2:19][C:20]3([CH3:23])[CH3:24])[c:3]([O:10][CH3:11])[cH:4][cH:5][c:6]([CH:8]=[O:9])[n:7]1