HRID142241

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID95417

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

C17H14O

3 次

HCID867195

1-[2-(4-bromophenoxy)ethyl]piperidine

C13H18BrNO

HCID4574913

未命名化合物

HCID23087511

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2ccc3cc(OC)ccc3c2)c(Nc2ccc(OCCN3CCCCC3)cc2)c1

HCID57934396

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55cbe1ed7bb74253be3c84dfb07b4883
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:22][c:23]1[cH:24][cH:25][c:26]([O:27][CH2:28][CH2:29][N:30]2[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2)[cH:36][cH:37]1.[C:38]([P:39]([C:40]([CH3:41])([CH3:42])[CH3:43])[C:44]([CH3:45])([CH3:46])[CH3:47])([CH3:48])([CH3:49])[CH3:50].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:10]2[cH:11][c:12]3[cH:13][cH:14][c:15]([O:20][CH3:21])[cH:16][c:17]3[cH:18][cH:19]2)[c:7]([NH2:9])[cH:8]1.[CH3:51][C:52]([CH3:53])([O-:54])[CH3:55].[CH3:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[Cl-:57].[NH4+:58].[Na+:56].[O:104]=[C:105]([CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1)[CH:114]=[CH:115][c:116]1[cH:117][cH:118][cH:119][cH:120][cH:121]1.[O:68]=[C:69]([CH:70]=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1)[CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[O:86]=[C:87]([CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1)[CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1.[Pd:66].[Pd:67]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:10]2[cH:11][c:12]3[cH:13][cH:14][c:15]([O:20][CH3:21])[cH:16][c:17]3[cH:18][cH:19]2)[c:7]([NH:9][c:23]2[cH:24][cH:25][c:26]([O:27][CH2:28][CH2:29][N:30]3[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]3)[cH:36][cH:37]2)[cH:8]1