HRID687241

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

HCID10491120

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

C11H12ClN3O2

反应SMILES：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

产物

反应SMILES：CCOC(=O)c1cnc2c(cnn2CC)c1-c1ccc(F)cc1C

HCID67440872

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-555cbcfaac574a64a2ed0d618c7a37f8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[C:29](=[O:30])([O-:31])[O-:32].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([Cl:17])[c:8]2[c:9]([n:10][cH:11]1)[n:12]([CH2:15][CH3:16])[n:13][cH:14]2.[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[CH3:42][CH2:43][OH:44].[F:18][c:19]1[cH:20][c:21]([CH3:28])[c:22]([B:25]([OH:26])[OH:27])[cH:23][cH:24]1.[Na+:33].[Na+:34].[cH:45]1[cH:46][cH:47][c:48]([P:49]([Pd:50]([P:51]([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)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([P:70]([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)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[P:89]([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)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[cH:120][cH:121]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7](-[c:22]2[c:21]([CH3:28])[cH:20][c:19]([F:18])[cH:24][cH:23]2)[c:8]2[c:9]([n:10][cH:11]1)[n:12]([CH2:15][CH3:16])[n:13][cH:14]2