HRID663390

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

HCID28486

Lithium ion

Li+

HCID68471

Benzene, 2-bromo-1,3-dimethyl-

C8H9Br

HCID95417

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

C17H14O

2 次

HCID3280088

未命名化合物

结构：COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

HCID13400657

(Pyrrolidin-3-yl)methanol

C5H11NO

PRODUCTS

生成物

HCID24275467

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c77df033a3e14e149936e05e04f0a0fa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][c:2]1[c:3]([CH3:9])[cH:4][cH:5][cH:6][c:7]1[CH3:8].[C:58](=[O:59])([OH:60])[O-:61].[CH3:105][CH2:106][O:107][C:108](=[O:109])[CH3:110].[CH3:47][Si:48]([CH3:49])([CH3:50])[N-:51][Si:52]([CH3:53])([CH3:54])[CH3:55].[CH:18]1([P:19]([CH:20]2[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]2)[c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]2-[c:32]2[c:33]([O:34][CH3:35])[cH:36][cH:37][cH:38][c:39]2[O:40][CH3:41])[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]1.[CH:69](=[CH:70][C:71]([CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1)=[O:80])[c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[CH:87](=[CH:88][C:89]([CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1)=[O:98])[c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1.[ClH:10].[Li+:56].[NH:11]1[CH2:12][CH:13]([CH2:16][OH:17])[CH2:14][CH2:15]1.[Na+:62].[O:63]1[CH2:64][CH2:65][CH2:66][CH2:67]1.[OH2:57].[Pd:68]>>[c:2]1([N:11]2[CH2:12][CH:13]([CH2:16][OH:17])[CH2:14][CH2:15]2)[c:3]([CH3:9])[cH:4][cH:5][cH:6][c:7]1[CH3:8]