HRID148860

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID92640

Propanoic acid, 3-mercapto-, 2-ethylhexyl ester

C11H22O2S

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

HCID58257795

未命名化合物

PRODUCTS

生成物

结构：CCCCC(CC)COC(=O)CCSc1ccc2c(ccc3ncnn32)c1

HCID67091107

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a9765542c9de415c8a579cedd00e4f47
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][c:7]3[n:8]([c:9]2[cH:10][cH:11]1)[n:12][cH:13][n:14]3.[CH2:15]([CH3:16])[CH:17]([CH2:18][O:19][C:20]([CH2:21][CH2:22][SH:23])=[O:24])[CH2:25][CH2:26][CH2:27][CH3:28].[CH2:80]1[O:81][CH2:82][CH2:83][O:84][CH2:85]1.[CH:29]([N:30]([CH2:31][CH3:32])[CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[O:106]=[C:107]([CH:108]=[CH:109][c:110]1[cH:111][cH:112][cH:113][cH:114][cH:115]1)[CH:116]=[CH:117][c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1.[O:124]=[C:125]([CH:126]=[CH:127][c:128]1[cH:129][cH:130][cH:131][cH:132][cH:133]1)[CH:134]=[CH:135][c:136]1[cH:137][cH:138][cH:139][cH:140][cH:141]1.[O:88]=[C:89]([CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1)[CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1.[Pd:86].[Pd:87].[c:38]1([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[c:47]3[c:71]([cH:72][cH:73][cH:74]2)[C:68]([CH3:69])([CH3:70])[c:50]2[c:49]([c:54]([P:55]([c:56]4[cH:57][cH:58][cH:59][cH:60][cH:61]4)[c:62]4[cH:63][cH:64][cH:65][cH:66][cH:67]4)[cH:53][cH:52][cH:51]2)[O:48]3)[cH:75][cH:76][cH:77][cH:78][cH:79]1>>[c:2]1([S:23][CH2:22][CH2:21][C:20]([O:19][CH2:18][CH:17]([CH2:15][CH3:16])[CH2:25][CH2:26][CH2:27][CH3:28])=[O:24])[cH:3][c:4]2[cH:5][cH:6][c:7]3[n:8]([c:9]2[cH:10][cH:11]1)[n:12][cH:13][n:14]3