HRID158059

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID20479

n-Butylboronic acid

C4H11BO2

结构：COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccccc1

HCID44451690

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：CCCCc1ccc2c(=O)n(Cc3ccccc3)c(C(=O)OC)c(-c3ccccc3)c2c1

HCID44451850

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-357f2d6ed4614cec9be43bb60fbd25c1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:37](=[O:38])([O-:39])[O-:40].[CH2:128]1[O:129][CH2:130][CH2:131][CH2:132]1.[CH2:30]([CH2:31][CH2:32][CH3:33])[B:34]([OH:35])[OH:36].[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6]([CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:7](=[O:22])[c:8]2[cH:9][cH:10][c:11]([Br:21])[cH:12][c:13]2[c:14]1-[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[K+:41].[K+:42].[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>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6]([CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:7](=[O:22])[c:8]2[cH:9][cH:10][c:11]([CH2:30][CH2:31][CH2:32][CH3:33])[cH:12][c:13]2[c:14]1-[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1