HRID187691

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID2734367

5-Formyl-2-methoxyphenylboronic acid

C8H9BO4

HCID21966486

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：CCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc(C=O)ccc3OC)cc21

HCID86611760

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a49d775bd10c420c86fce04defb387ce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[c:3]([CH3:17])[cH:4][c:5]2[c:10]([cH:11]1)[N:9]([CH2:12][CH3:13])[C:8](=[O:14])[CH2:7][C:6]2([CH3:15])[CH3:16].[CH3:121][CH2:122][OH:123].[CH3:18][O:19][c:20]1[c:21]([B:28]([OH:29])[OH:30])[cH:22][c:23]([CH:26]=[O:27])[cH:24][cH:25]1.[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[K+:38].[K+:39].[O-:40][C:41]([O-:42])=[O:43].[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[c:20]([O:19][CH3:18])[cH:25][cH:24][c:23]([CH:26]=[O:27])[cH:22]2)[c:3]([CH3:17])[cH:4][c:5]2[c:10]([cH:11]1)[N:9]([CH2:12][CH3:13])[C:8](=[O:14])[CH2:7][C:6]2([CH3:15])[CH3:16]