HRID177976

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID11454

Benzene, (1-bromoethyl)-

C8H9Br

HCID19660

Carbonate

CO3-2

HCID166653

Hydride

H-

HCID259653

3'-Allyl-4'-hydroxyacetophenone

C11H12O2

HCID10684163

未命名化合物

HCID86757414

未命名化合物

PRODUCTS

生成物

结构：C=CCc1cc(C(C)=CC(=O)N(CC)CC)ccc1OC(C)c1ccccc1

HCID53935138

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e3c1f6a37f7f4a92b2cacb99c99b791e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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