HRID283750

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

HCID19660

Carbonate

CO3-2

HCID98662

3-Bromo-p-anisaldehyde

C8H7BrO2

HCID10037535

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

C15H23BO2

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C

HCID11279126

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-baebe1012cbd45b1b90afcbc824fc9b3
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:1][c:2]1[cH:3][c:4]([CH:5]=[O:6])[cH:7][cH:8][c:9]1[O:10][CH3:11].[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].[cH:49]1[cH:50][cH:51][c:52]([P:53]([Pd:54]([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[cH:124][cH:125]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])[cH:3][c:4]([CH:5]=[O:6])[cH:7][cH:8][c:9]1[O:10][CH3:11]