HRID811532

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID2769567

5-Bromo-2-chloroanisole

C7H6BrClO

HCID4574913

未命名化合物

PRODUCTS

生成物

结构：COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1Cl

HCID58778031

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f40836936584db4bcd1d45f5b1b912e
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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