HRID2317327

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID292189

2-Formylphenylboronic acid

C7H7BO3

结构：CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccc(I)cc1)C2=O

HCID22240493

Ethyl 6-(4-iodophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate

C22H20IN3O4

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)c1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccc(-c3ccccc3C=O)cc1)C2=O

HCID22318534

Ethyl 6-(2′-formyl[1,1′-biphenyl]-4-yl)-4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-7-oxo-1H-pyrazolo[3,4-c]pyridine-3-carboxylate

C29H25N3O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5714110cbd724f0fa1881a114601e11c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][n:8](-[c:23]2[cH:24][cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]2)[c:9]2[c:14]1[CH2:13][CH2:12][N:11]([c:15]1[cH:16][cH:17][c:18]([I:21])[cH:19][cH:20]1)[C:10]2=[O:22].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[CH3:55][CH2:56][OH:57].[CH:31](=[O:32])[c:33]1[c:34]([B:39]([OH:40])[OH:41])[cH:35][cH:36][cH:37][cH:38]1.[K+:42].[K+:43].[O-:44][C:45]([O-:46])=[O:47].[OH2:58].[cH:59]1[cH:60][cH:61][c:62]([P:63]([Pd:64]([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[P:103]([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)([c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[cH:134][cH:135]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][n:8](-[c:23]2[cH:24][cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]2)[c:9]2[c:14]1[CH2:13][CH2:12][N:11]([c:15]1[cH:16][cH:17][c:18](-[c:34]3[c:33]([CH:31]=[O:32])[cH:38][cH:37][cH:36][cH:35]3)[cH:19][cH:20]1)[C:10]2=[O:22]