HRID191322

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID79799

p-Tolueneboronic acid

C7H9BO2

HCID2780092

Ethyl 2-(2-bromophenyl)acetate

C10H11BrO2

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

HCID86245029

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f6908ce70aa406aa984de26663a2329
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]([CH2:8][C:9](=[O:10])[O:11][CH2:12][CH3:13])[cH:4][cH:5][cH:6][cH:7]1.[CH3:109][CH2:110][O:111][C:112](=[O:113])[CH3:114].[CH3:116][c:117]1[cH:118][cH:119][cH:120][cH:121][cH:122]1.[CH3:20][c:21]1[cH:22][cH:23][c:24]([B:27]([OH:28])[OH:29])[cH:25][cH:26]1.[CH3:30][OH:31].[Na+:14].[Na+:15].[O-:16][C:17](=[O:18])[O-:19].[OH2:115].[cH:32]1[cH:33][cH:34][c:35]([P:36]([Pd:37]([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[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)[cH:107][cH:108]1>>[c:2]1(-[c:24]2[cH:23][cH:22][c:21]([CH3:20])[cH:26][cH:25]2)[c:3]([CH2:8][C:9](=[O:10])[O:11][CH2:12][CH3:13])[cH:4][cH:5][cH:6][cH:7]1