HRID96794

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID11522

Benzene, 1-bromo-4-iodo-

C6H4BrI

HCID23938

Palladium

2 次

HCID67435

1,4-Dioxa-8-azaspiro(4.5)decane

C7H13NO2

HCID95417

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

C17H14O

3 次

结构：CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21

HCID636044

1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)

C39H32OP2

HCID4574913

未命名化合物

PRODUCTS

生成物

HCID12169341

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc99331285a2485c944daa8a2ee2bffd
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][cH:4][c:5]([I:8])[cH:6][cH:7]1.[CH3:130][CH2:131][O:132][C:133](=[O:134])[CH3:135].[CH3:61][C:62]([CH3:63])([O-:64])[CH3:65].[CH3:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[Na+:66].[O:112]=[C:113]([CH:114]=[CH:115][c:116]1[cH:117][cH:118][cH:119][cH:120][cH:121]1)[CH:122]=[CH:123][c:124]1[cH:125][cH:126][cH:127][cH:128][cH:129]1.[O:76]=[C:77]([CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1)[CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1.[O:94]=[C:95]([CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1)[CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1.[O:9]1[CH2:10][CH2:11][O:12][C:13]12[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]2.[Pd:74].[Pd:75].[c:19]1([P:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[c:28]3[c:52]([cH:53][cH:54][cH:55]2)[C:49]([CH3:50])([CH3:51])[c:31]2[c:30]([c:35]([P:36]([c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)[c:43]4[cH:44][cH:45][cH:46][cH:47][cH:48]4)[cH:34][cH:33][cH:32]2)[O:29]3)[cH:56][cH:57][cH:58][cH:59][cH:60]1>>[Br:1][c:2]1[cH:3][cH:4][c:5]([N:16]2[CH2:15][CH2:14][C:13]3([O:9][CH2:10][CH2:11][O:12]3)[CH2:18][CH2:17]2)[cH:6][cH:7]1