HRID679295

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8357

3,4,5-Trimethoxybenzoic acid

C10H12O5

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID75885

5-Bromo-1,2,3-trimethoxybenzene

C9H11BrO3

HCID21904359

未命名化合物

PRODUCTS

生成物

HCID75885

5-Bromo-1,2,3-trimethoxybenzene

C9H11BrO3

结构：COc1cc(P(=O)(OCc2ccccc2)OCc2ccccc2)cc(OC)c1OC

HCID54545930

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13889d3ab7394c58a0af790814dcf9df
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

[CH3:131][c:132]1[cH:133][cH:134][cH:135][cH:136][cH:137]1.[CH3:1][O:2][c:3]1[cH:4][c:5]([C:13](=[O:14])[OH:15])[cH:6][c:7]([O:8][CH3:9])[c:10]1[O:11][CH3:12].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:41][O:42][c:43]1[cH:44][c:45]([Br:53])[cH:46][c:47]([O:51][CH3:52])[c:48]1[O:49][CH3:50].[P:16]([O:17][CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)([O:25][CH2:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[O-:33].[Pd:54].[c:112]1([P:113]([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127][cH:128][cH:129][cH:130]1.[c:55]1([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)[cH:69][cH:70][cH:71][cH:72][cH:73]1.[c:74]1([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)[cH:88][cH:89][cH:90][cH:91][cH:92]1.[c:93]1([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)[cH:107][cH:108][cH:109][cH:110][cH:111]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([P:16]([O:17][CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)([O:25][CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)=[O:33])[cH:6][c:7]([O:8][CH3:9])[c:10]1[O:11][CH3:12].[CH3:41][O:42][c:43]1[cH:44][c:45]([Br:53])[cH:46][c:47]([O:51][CH3:52])[c:48]1[O:49][CH3:50]