HRID299444

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

3 次

HCID962

Water

H2O

13 次

HCID1003

Dihydrogen phosphate

H2O4P-

HCID1140

Toluene

C7H8

HCID3681305

Hydrogen phosphate

HO4P-2

HCID21801904

2-Bromo-5-propylthiophene

C7H9BrS

HCID58028431

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：CCCc1ccc(-c2cc(F)c(-c3ccc(CCC)s3)c(F)c2)cc1

HCID58028428

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-539a56d313ee4b919539a45699b940bf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[s:3][c:4]([CH2:7][CH2:8][CH3:9])[cH:5][cH:6]1.[CH2:10]([CH2:11][CH3:12])[c:13]1[cH:14][cH:15][c:16](-[c:19]2[cH:20][c:21]([F:29])[c:22]([B:26]([OH:27])[OH:28])[c:23]([F:25])[cH:24]2)[cH:17][cH:18]1.[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[Na+:30].[Na+:53].[Na+:54].[OH2:36].[OH2:37].[OH2:38].[OH2:39].[OH2:40].[OH2:41].[OH2:42].[OH2:43].[OH2:44].[OH2:45].[OH2:46].[OH2:47].[OH2:62].[OH:31][P:32](=[O:33])([O-:34])[OH:35].[P:48]([O-:49])([O-:50])([OH:51])=[O:52].[cH:63]1[cH:64][cH:65][c:66]([P:67]([Pd:68]([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([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)([P:88]([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)[P:107]([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)([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)([c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[c:132]2[cH:133][cH:134][cH:135][cH:136][cH:137]2)[cH:138][cH:139]1>>[c:2]1(-[c:22]2[c:21]([F:29])[cH:20][c:19](-[c:16]3[cH:15][cH:14][c:13]([CH2:10][CH2:11][CH3:12])[cH:18][cH:17]3)[cH:24][c:23]2[F:25])[s:3][c:4]([CH2:7][CH2:8][CH3:9])[cH:5][cH:6]1