HRID666990

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID23938

Palladium

2 次

HCID80782

4-Chloro-5-methyl-o-anisidine

C8H10ClNO

HCID95417

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

C17H14O

3 次

HCID2773526

4-(N-Methylaminocarbonyl)phenylboronic acid

C8H10BNO3

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

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

PRODUCTS

生成物

HCID59586791

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-480d28598212461d9e093c2ad0f90484
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

[CH2:62]([OH:63])[CH2:64][CH2:65][CH3:66].[CH3:12][NH:13][C:14](=[O:15])[c:16]1[cH:17][cH:18][c:19]([B:22]([OH:23])[OH:24])[cH:20][cH:21]1.[CH:25]1([P:26]([CH:27]2[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]2-[c:39]2[c:40]([O:41][CH3:42])[cH:43][cH:44][cH:45][c:46]2[O:47][CH3:48])[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]1.[Cl:1][c:2]1[cH:3][c:4]([O:10][CH3:11])[c:5]([NH2:6])[cH:7][c:8]1[CH3:9].[K+:59].[K+:60].[K+:61].[O:105]=[C:106]([CH:107]=[CH:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1)[CH:115]=[CH:116][c:117]1[cH:118][cH:119][cH:120][cH:121][cH:122]1.[O:69]=[C:70]([CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1)[CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[O:87]=[C:88]([CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1)[CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1.[P:54]([O-:55])([O-:56])([O-:57])=[O:58].[Pd:67].[Pd:68]>>[c:2]1(-[c:19]2[cH:18][cH:17][c:16]([C:14]([NH:13][CH3:12])=[O:15])[cH:21][cH:20]2)[cH:3][c:4]([O:10][CH3:11])[c:5]([NH2:6])[cH:7][c:8]1[CH3:9]