HRID686518

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

HCID19660

Carbonate

CO3-2

HCID2735599

1-Bromo-4-pentylbenzene

C11H15Br

HCID22223115

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：CCCCCc1ccc(-c2ccc3c(c2F)Cc2c-3ccc(OCCCC)c2F)cc1

HCID22223123

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c2af777a5b664c629b8b7a000a99e398
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

[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][c:6]1[cH:7][cH:8][c:9]2[c:17]([c:18]1[F:19])[CH2:16][c:15]1[c:10]-2[cH:11][cH:12][c:13]([B:21]([OH:22])[OH:23])[c:14]1[F:20].[CH2:33]([CH2:34][CH2:35][CH2:36][CH3:37])[c:38]1[cH:39][cH:40][c:41]([Br:44])[cH:42][cH:43]1.[CH3:24][CH2:25][OH:26].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[Na+:27].[Na+:28].[O-:29][C:30](=[O:31])[O-:32].[OH2:45].[cH:53]1[cH:54][cH:55][c:56]([P:57]([Pd:58]([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([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)([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([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)[P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[cH:128][cH:129]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][c:6]1[cH:7][cH:8][c:9]2[c:17]([c:18]1[F:19])[CH2:16][c:15]1[c:10]-2[cH:11][cH:12][c:13](-[c:41]2[cH:40][cH:39][c:38]([CH2:33][CH2:34][CH2:35][CH2:36][CH3:37])[cH:43][cH:42]2)[c:14]1[F:20]