HRID1575869

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID2734665

4-Fluoro-2-methylphenylboronic acid

C7H8BFO2

HCID21823886

Ethyl 1-benzyl-4-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

C16H14ClN3O2

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：CCOC(=O)c1cnc2c(cnn2Cc2ccccc2)c1-c1ccc(F)cc1C

HCID67440650

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2454d19994904e6fb7b2051c8137b7f1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:34](=[O:35])([O-:36])[O-:37].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([Cl:22])[c:8]2[c:9]([n:10][cH:11]1)[n:12]([CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[n:13][cH:14]2.[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH3:47][CH2:48][OH:49].[F:23][c:24]1[cH:25][c:26]([CH3:33])[c:27]([B:30]([OH:31])[OH:32])[cH:28][cH:29]1.[Na+:38].[Na+:39].[cH:50]1[cH:51][cH:52][c:53]([P:54]([Pd:55]([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([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)([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([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)[P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[cH:125][cH:126]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7](-[c:27]2[c:26]([CH3:33])[cH:25][c:24]([F:23])[cH:29][cH:28]2)[c:8]2[c:9]([n:10][cH:11]1)[n:12]([CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[n:13][cH:14]2