HRID138256

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID2795193

5-Pyrimidinylboronic acid

C4H5BN2O2

HCID24905337

3-Iodo-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

C8H10IN5

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

HCID24905171

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b8134fd108e4c97bef7063da8daac69
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:24](=[O:25])([O-:26])[O-:27].[CH3:30][CH2:31][OH:32].[CH3:33][O:34][CH2:35][CH2:36][O:37][CH3:38].[I:10][c:11]1[n:12][n:13]([CH:21]([CH3:22])[CH3:23])[c:14]2[n:15][cH:16][n:17][c:18]([NH2:20])[c:19]12.[Na+:28].[Na+:29].[cH:39]1[cH:40][cH:41][c:42]([P:43]([Pd:44]([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([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)([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([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)[P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([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)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[cH:114][cH:115]1.[n:1]1[cH:2][n:3][cH:4][c:5]([B:7]([OH:8])[OH:9])[cH:6]1>>[n:1]1[cH:2][n:3][cH:4][c:5](-[c:11]2[n:12][n:13]([CH:21]([CH3:22])[CH3:23])[c:14]3[n:15][cH:16][n:17][c:18]([NH2:20])[c:19]23)[cH:6]1