HRID158153

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID7912

Diisopropylamine

C6H15N

HCID8003

Pentane

C5H12

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID11020027

6-Fluoro-1-(propan-2-yl)-3,4-dihydronaphthalen-2(1H)-one

C13H15FO

HCID11107182

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CC(C)C1c2ccc(F)cc2CCC1(O)CC(=O)N(C)CCCc1nc2ccccc2[nH]1

HCID10917130

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4dfe50b75f9b46548dae33b1066096ad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50].[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[CH3:64][CH2:65][CH2:66][CH2:67][CH3:68].[CH:6]([NH:7][CH:8]([CH3:9])[CH3:10])([CH3:11])[CH3:12].[F:30][c:31]1[cH:32][c:33]2[c:38]([cH:39][cH:40]1)[CH:37]([CH:41]([CH3:42])[CH3:43])[C:36](=[O:44])[CH2:35][CH2:34]2.[Li:1][CH2:2][CH2:3][CH2:4][CH3:5].[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1.[OH2:63].[nH:13]1[c:14]([CH2:22][CH2:23][CH2:24][N:25]([C:26]([CH3:27])=[O:28])[CH3:29])[n:15][c:16]2[c:17]1[cH:18][cH:19][cH:20][cH:21]2>>[nH:13]1[c:14]([CH2:22][CH2:23][CH2:24][N:25]([C:26]([CH2:27][C:36]2([OH:44])[CH2:35][CH2:34][c:33]3[cH:32][c:31]([F:30])[cH:40][cH:39][c:38]3[CH:37]2[CH:41]([CH3:42])[CH3:43])=[O:28])[CH3:29])[n:15][c:16]2[c:17]1[cH:18][cH:19][cH:20][cH:21]2