HRID1555515

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID23938

Palladium

2 次

HCID28486

Lithium ion

Li+

HCID95417

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

C17H14O

3 次

HCID2734216

2-(Dicyclohexylphosphino)biphenyl

C24H31P

HCID3280088

未命名化合物

HCID57489651

未命名化合物

PRODUCTS

产物

HCID57489652

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-12500015fa814a1eaf96caa71fc3641f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([CH3:19])[CH2:9][CH2:10][N:11]([C:14](=[O:15])[O:16][CH2:17][CH3:18])[CH2:12][CH2:13]2)[cH:6][cH:7]1.[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH3:46][Si:47]([N-:50][Si:48]([CH3:49])([CH3:51])[CH3:52])([CH3:53])[CH3:54].[ClH:60].[Li+:45].[Na+:62].[O:101]=[C:102]([CH:103]=[CH:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1)[CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1.[O:65]=[C:66]([CH:67]=[CH:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1)[CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[O:83]=[C:84]([CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1)[CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[OH-:61].[Pd:63].[Pd:64].[c:20]1(-[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:27][cH:28][cH:29][cH:30][c:31]1[P:32]([CH:33]1[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]1)[CH:39]1[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]1>>[c:2]1([NH2:50])[cH:3][cH:4][c:5]([C:8]2([CH3:19])[CH2:9][CH2:10][N:11]([C:14](=[O:15])[O:16][CH2:17][CH3:18])[CH2:12][CH2:13]2)[cH:6][cH:7]1