HRID1238066

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

2 次

HCID19660

Carbonate

CO3-2

HCID2736223

1-BROMO-3-CHLORO-5-FLUOROBENZENE

C6H3BrClF

HCID21869456

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

HCID59303980

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-693512d7eae842d28d56a12d7d97d6db
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:14][c:15]1[cH:16][c:17]([Cl:22])[cH:18][c:19]([F:21])[cH:20]1.[CH2:1]([CH2:2][CH3:3])[c:4]1[cH:5][cH:6][c:7]([O:10][B:11]([OH:12])[OH:13])[cH:8][cH:9]1.[CH2:30]([OH:31])[CH3:32].[CH3:117][c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1.[Na+:23].[Na+:24].[O-:25][C:26](=[O:27])[O-:28].[OH2:29].[c:33]1([CH3:34])[cH:35][cH:36][cH:37][cH:38][cH:39]1.[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>>[CH2:1]([CH2:2][CH3:3])[c:4]1[cH:5][cH:6][c:7](-[c:15]2[cH:16][c:17]([Cl:22])[cH:18][c:19]([F:21])[cH:20]2)[cH:8][cH:9]1