HRID1122344

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8083

Morpholine

C4H9NO

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

2 次

HCID28486

Lithium ion

Li+

HCID95417

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

C17H14O

3 次

结构：c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1

HCID2734216

2-(Dicyclohexylphosphino)biphenyl

C24H31P

HCID3016205

(1,1'-Biphenyl)amine, N,N-dimethyl-

C14H15N

HCID3280088

未命名化合物

结构：CCC(CC)c1cc(C)nn2c(-c3scc(Br)c3C)c(C)nc12

HCID57932970

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)c1cc(C)nn2c(-c3scc(N4CCOCC4)c3C)c(C)nc12

HCID57933003

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1093ebba8d0b4f1b8e90840f2b4f4a30
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[c:3]([CH3:23])[c:4](-[c:7]2[c:8]([CH3:22])[n:9][c:10]3[n:11]2[n:12][c:13]([CH3:21])[cH:14][c:15]3[CH:16]([CH2:17][CH3:18])[CH2:19][CH3:20])[s:5][cH:6]1.[CH2:24]1[CH2:25][O:26][CH2:27][CH2:28][NH:29]1.[CH3:30][N:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][c:37]1-[c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[CH3:44].[CH3:71][Si:72]([N-:73][Si:74]([CH3:75])([CH3:76])[CH3:77])([CH3:78])[CH3:79].[CH3:80][CH2:81][O:82][C:83]([CH3:84])=[O:85].[CH:45]1([P:46]([CH:47]2[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][c:58]2-[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[CH2:65][CH2:66][CH2:67][CH2:68][CH2:69]1.[Li+:70].[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:2]1([N:29]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]2)[c:3]([CH3:23])[c:4](-[c:7]2[c:8]([CH3:22])[n:9][c:10]3[n:11]2[n:12][c:13]([CH3:21])[cH:14][c:15]3[CH:16]([CH2:17][CH3:18])[CH2:19][CH3:20])[s:5][cH:6]1