HRID99990

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID3283

Diethyl Ether

C4H10O

HCID8083

Morpholine

C4H9NO

HCID23938

Palladium

2 次

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

结构：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID11746402

Methyl 2-(3-bromophenyl)acetate

C9H9BrO2

PRODUCTS

生成物

HCID18403524

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0d6d3b1c31b4eda9d8e702f9439f7e2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([CH2:8][C:9](=[O:10])[O:11][CH3:12])[cH:5][cH:6][cH:7]1.[CH2:13]1[CH2:14][O:15][CH2:16][CH2:17][NH:18]1.[CH3:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1.[CH3:72][CH2:73][O:74][CH2:75][CH3:76].[O:115]=[C:116]([CH:117]=[CH:118][c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1)[CH:125]=[CH:126][c:127]1[cH:128][cH:129][cH:130][cH:131][cH:132]1.[O:79]=[C:80]([CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1)[CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1.[O:97]=[C:98]([CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1)[CH:107]=[CH:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1.[Pd:77].[Pd:78].[cH:19]1[cH:20][cH:21][c:22]([P:23]([c:24]2[cH:25][cH:26][c:27]3[c:28]([cH:29][cH:30][cH:31][cH:32]3)[c:33]2-[c:34]2[c:35]3[c:36]([cH:37][cH:38][cH:39][cH:40]3)[cH:41][cH:42][c:43]2[P:44]([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)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:63][cH:64]1>>[c:2]1([N:18]2[CH2:13][CH2:14][O:15][CH2:16][CH2:17]2)[cH:3][c:4]([CH2:8][C:9](=[O:10])[O:11][CH3:12])[cH:5][cH:6][cH:7]1