HRID2162691

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID2734351

4-Ethoxyphenylboronic acid

C8H11BO3

HCID67180158

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：CCOc1ccc(-c2nsc(NC(=O)C3CC3C)c2Br)cc1

HCID67180535

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a2bf319230db4d13b0edae3276119666
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][c:2]1[n:3][s:4][c:5]([NH:8][C:9](=[O:10])[CH:11]2[CH:12]([CH3:14])[CH2:13]2)[c:6]1[Br:7].[CH2:15]([CH3:16])[O:17][c:18]1[cH:19][cH:20][c:21]([B:24]([OH:25])[OH:26])[cH:22][cH:23]1.[CH3:121][c:122]1[cH:123][cH:124][cH:125][cH:126][cH:127]1.[CH3:38][CH2:39][O:40][C:41]([CH3:42])=[O:43].[Na+:32].[Na+:33].[O-:34][C:35](=[O:36])[O-:37].[O:27]=[CH:28][N:29]([CH3:30])[CH3:31].[cH:44]1[cH:45][cH:46][c:47]([P:48]([Pd:49]([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)([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)([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([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)[P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)([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)[cH:119][cH:120]1>>[c:2]1(-[c:21]2[cH:20][cH:19][c:18]([O:17][CH2:15][CH3:16])[cH:23][cH:22]2)[n:3][s:4][c:5]([NH:8][C:9](=[O:10])[CH:11]2[CH:12]([CH3:14])[CH2:13]2)[c:6]1[Br:7]