HRID2144726

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

HCID95417

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

C17H14O

3 次

HCID2776159

5-Bromo-2,3-dihydrobenzofuran

C8H7BrO

HCID3841102

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

C8H9NO

HCID4574913

未命名化合物

PRODUCTS

产物

反应SMILES：c1cc2c(cc1Nc1ccc3c(c1)CCO3)CCO2

HCID58899093

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e8b2328afc004f2f891f91bbb8963167
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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