HRID804508

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID4198005

3-(1,3,2-dioxaborinan-2-yl)pyridine

C8H10BNO2

HCID87234631

未命名化合物

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：CC(Nc1nc(Cl)cc(-c2cccnc2)n1)c1ccc(F)cc1

HCID87234790

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-530ddfb2f5ac4c178419d7be82d0322b
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:128][CH2:129][OH:130].[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[Cl:1][c:2]1[n:3][c:4]([NH:9][CH:10]([CH3:11])[c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)[n:5][c:6]([Cl:8])[cH:7]1.[Na+:31].[Na+:32].[O-:33][C:34](=[O:35])[O-:36].[O:19]1[CH2:20][CH2:21][CH2:22][O:23][B:24]1[c:25]1[cH:26][n:27][cH:28][cH:29][cH:30]1.[OH2:127].[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>>[c:2]1(-[c:25]2[cH:26][n:27][cH:28][cH:29][cH:30]2)[n:3][c:4]([NH:9][CH:10]([CH3:11])[c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)[n:5][c:6]([Cl:8])[cH:7]1