HRID286940

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID16971

1-Bromo-3-methoxybenzene

C7H7BrO

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID4574913

未命名化合物

HCID53960153

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(C2(C)CCC(=CN(C)c3ccccc3)C2=O)c1

HCID69807817

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a3d25138b534041b384ac6276e0b01f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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