HRID195060

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID19660

Carbonate

CO3-2

HCID2782674

3-Fluoro-4-methylphenylboronic acid

C7H8BFO2

HCID3804415

tert-butyl 2-bromobenzoate

C11H13BrO2

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

HCID57483940

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-467835b4230d481aaab453a8186681ac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([c:7]1[c:8]([Br:13])[cH:9][cH:10][cH:11][cH:12]1)=[O:14].[CH:26]([OH:27])([CH3:28])[CH3:29].[F:15][c:16]1[cH:17][c:18]([B:23]([OH:24])[OH:25])[cH:19][cH:20][c:21]1[CH3:22].[Na+:30].[Na+:31].[O-:32][C:33](=[O:34])[O-:35].[OH2:36].[cH:37]1[cH:38][cH:39][c:40]([P:41]([Pd:42]([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[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)[cH:112][cH:113]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([c:7]1[c:8](-[c:18]2[cH:17][c:16]([F:15])[c:21]([CH3:22])[cH:20][cH:19]2)[cH:9][cH:10][cH:11][cH:12]1)=[O:14]