HRID1221071

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID8071

未命名化合物

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID66906453

2-Bromo-4-(4-hydroxy-piperidin-1-yl)-benzoic acid methyl ester

C13H16BrNO3

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：COC(=O)c1ccc(N2CCC(O)CC2)cc1-c1ccccc1

HCID66906328

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11d558d194794c2f84449eb9fc8ef990
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:1][O:2][C:3]([c:4]1[c:5]([Br:17])[cH:6][c:7]([N:10]2[CH2:11][CH2:12][CH:13]([OH:16])[CH2:14][CH2:15]2)[cH:8][cH:9]1)=[O:18].[CH3:36][O:37][CH2:38][CH2:39][O:40][CH3:41].[K+:33].[K+:34].[K+:35].[OH2:42].[OH:19][B:20]([OH:21])[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[P:28]([O-:29])([O-:30])([O-:31])=[O:32].[cH:43]1[cH:44][cH:45][c:46]([P:47]([Pd:48]([P:49]([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)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([P:68]([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)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[P:87]([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)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119]1>>[CH3:1][O:2][C:3]([c:4]1[c:5](-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:6][c:7]([N:10]2[CH2:11][CH2:12][CH:13]([OH:16])[CH2:14][CH2:15]2)[cH:8][cH:9]1)=[O:18]