HRID664975

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID947

Nitrogen

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID12070

Benzoic acid, 3-bromo-, methyl ester

C8H7BrO2

HCID2773582

2,3,4-Trimethoxyphenylboronic acid

C9H13BO5

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

HCID16116290

Methyl 2′,3′,4′-trimethoxy[1,1′-biphenyl]-3-carboxylate

C17H18O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5134acab2a048e4a362975a89bf0ded
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:18][CH2:19][OH:20].[CH3:21][O:22][C:23]([c:24]1[cH:25][c:26]([Br:30])[cH:27][cH:28][cH:29]1)=[O:31].[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[CH3:3][O:4][c:5]1[c:6]([B:15]([OH:16])[OH:17])[cH:7][cH:8][c:9]([O:13][CH3:14])[c:10]1[O:11][CH3:12].[N:1]#[N:2].[OH2:39].[cH:40]1[cH:41][cH:42][c:43]([P:44]([Pd:45]([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([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)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[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)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[cH:115][cH:116]1>>[CH3:3][O:4][c:5]1[c:6](-[c:26]2[cH:25][c:24]([C:23]([O:22][CH3:21])=[O:31])[cH:29][cH:28][cH:27]2)[cH:7][cH:8][c:9]([O:13][CH3:14])[c:10]1[O:11][CH3:12]