HRID1116578

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8071

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID4198739

2,4-Dimethylphenylboronic acid

C8H11BO2

结构：CCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1NC1c2ccccc2CC1O

HCID22147227

未命名化合物

HCID22147267

未命名化合物

PRODUCTS

生成物

结构：CCc1nc(-c2ccc(C)cc2C)c(CC)nc1NC1CCOc2ccccc21

HCID10215966

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c482a98b9106461eacfd6fa5c59200fc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:30][c:31]1[n:32][c:33]([CH2:50][CH3:51])[c:34]([NH:39][CH:40]2[CH2:41][CH2:42][O:43][c:44]3[cH:45][cH:46][cH:47][cH:48][c:49]32)[n:35][c:36]1[CH2:37][CH3:38].[CH3:140][O:141][CH2:142][CH2:143][O:144][CH3:145].[CH3:52][c:53]1[c:54]([B:60]([OH:61])[OH:62])[cH:55][cH:56][c:57]([CH3:59])[cH:58]1.[Cl:1][c:2]1[cH:3][c:4]([Cl:5])[cH:6][cH:7][c:8]1-[c:9]1[n:10][c:11]([CH2:12][CH3:13])[c:14]([NH:15][CH:16]2[c:17]3[c:18]([cH:19][cH:20][cH:21][cH:22]3)[CH2:23][CH:24]2[OH:25])[n:26][c:27]1[CH2:28][CH3:29].[Pd:63].[c:102]1([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)[cH:116][cH:117][cH:118][cH:119][cH:120]1.[c:121]1([P:122]([c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[c:129]2[cH:130][cH:131][cH:132][cH:133][cH:134]2)[cH:135][cH:136][cH:137][cH:138][cH:139]1.[c:64]1([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)[cH:78][cH:79][cH:80][cH:81][cH:82]1.[c:83]1([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)[cH:97][cH:98][cH:99][cH:100][cH:101]1>>[c:31]1(-[c:54]2[c:53]([CH3:52])[cH:58][c:57]([CH3:59])[cH:56][cH:55]2)[n:32][c:33]([CH2:50][CH3:51])[c:34]([NH:39][CH:40]2[CH2:41][CH2:42][O:43][c:44]3[cH:45][cH:46][cH:47][cH:48][c:49]32)[n:35][c:36]1[CH2:37][CH3:38]