HRID1145179

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID77595

1-Bromo-4-tert-butylbenzene

C10H13Br

HCID95417

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

C17H14O

3 次

HCID3841102

2,3-Dihydro-1-benzofuran-5-amine

C8H9NO

HCID4574913

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)c1ccc(Nc2ccc3c(c2)CCO3)cc1

HCID57589726

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0df078eba9f44e668cd1c5eb3e37baed
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[C:11]([CH3:12])([CH3:13])([CH3:14])[c:15]1[cH:16][cH:17][c:18]([Br:21])[cH:19][cH:20]1.[CH3:22][C:23]([CH3:24])([O-:25])[CH3:26].[CH3:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[Na+:27].[O:1]1[CH2:2][CH2:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([NH2:10])[cH:9]2.[O:30]=[C:31]([CH:32]=[CH:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[CH:40]=[CH:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[O:48]=[C:49]([CH:50]=[CH:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)[CH:58]=[CH:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[O:66]=[C:67]([CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1)[CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[Pd:28].[Pd:29]>>[O:1]1[CH2:2][CH2:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([NH:10][c:18]1[cH:17][cH:16][c:15]([C:11]([CH3:12])([CH3:13])[CH3:14])[cH:20][cH:19]1)[cH:9]2