HRID1542346

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID79196

Piperazine, 1-ethyl-

C6H14N2

HCID95417

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

C17H14O

3 次

HCID605723

Ethyl 5-bromothiophene-2-carboxylate

C7H7BrO2S

HCID4574913

未命名化合物

PRODUCTS

生成物

HCID66589785

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a2df08947e164d02a7d8cc1897e0df4a
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:7][c:8]1[cH:9][cH:10][c:11]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[s:12]1.[CH2:18]([CH3:19])[N:20]1[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]1.[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[CH3:33][OH:34].[Na+:6].[O:37]=[C:38]([CH:39]=[CH:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)[CH:47]=[CH:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[O:55]=[C:56]([CH:57]=[CH:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1)[CH:65]=[CH:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[O:73]=[C:74]([CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1)[CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[Pd:35].[Pd:36]>>[c:8]1([N:23]2[CH2:22][CH2:21][N:20]([CH2:18][CH3:19])[CH2:25][CH2:24]2)[cH:9][cH:10][c:11]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[s:12]1