HRID942384

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID250705

2,4-Dichloro-5-fluoropyrimidine

C4HCl2FN2

结构：OB(O)c1cccnc1Oc1ccc(Nc2nnc(-c3ccccc3)c3ccccc23)cc1

HCID24856075

B-[2-[4-[(4-Phenyl-1-phthalazinyl)amino]phenoxy]-3-pyridinyl]boronic acid

C25H19BN4O3

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：Fc1cnc(Cl)nc1-c1cccnc1Oc1ccc(Nc2nnc(-c3ccccc3)c3ccccc23)cc1

HCID86614169

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35c3cdb988ca44a29ff6479354f5a7dd
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:132][OH:133].[CH3:43][O:44][CH2:45][CH2:46][O:47][CH3:48].[Cl:134][CH2:135][Cl:136].[Cl:1][c:2]1[n:3][cH:4][c:5]([F:9])[c:6]([Cl:8])[n:7]1.[Na+:49].[Na+:50].[O-:51][C:52](=[O:53])[O-:54].[c:10]1(-[c:16]2[n:17][n:18][c:19]([NH:26][c:27]3[cH:28][cH:29][c:30]([O:31][c:32]4[n:33][cH:34][cH:35][cH:36][c:37]4[B:38]([OH:39])[OH:40])[cH:41][cH:42]3)[c:20]3[cH:21][cH:22][cH:23][cH:24][c:25]23)[cH:11][cH:12][cH:13][cH:14][cH:15]1.[cH:55]1[cH:56][cH:57][c:58]([P:59]([Pd:60]([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[P:99]([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[cH:130][cH:131]1>>[Cl:1][c:2]1[n:3][cH:4][c:5]([F:9])[c:6](-[c:37]2[c:32]([O:31][c:30]3[cH:29][cH:28][c:27]([NH:26][c:19]4[n:18][n:17][c:16](-[c:10]5[cH:11][cH:12][cH:13][cH:14][cH:15]5)[c:25]5[c:20]4[cH:21][cH:22][cH:23][cH:24]5)[cH:42][cH:41]3)[n:33][cH:34][cH:35][cH:36]2)[n:7]1