HRID101877

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID76583

3-Bromobenzaldehyde

C7H5BrO

HCID123472

Diethylaminosulfur trifluoride

C4H10F3NS

HCID2769675

1-bromo-3-(difluoromethyl)benzene

C7H5BrF2

HCID3048729

1-dimethylamino-2-methylpentan-3-one

C8H17NO

HCID178418339

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

HCID9943385

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cf208c9eb5834b4b8db6538d3915e4da
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:11][c:12]1[cH:13][c:14]([CH:18]=[O:19])[cH:15][cH:16][cH:17]1.[Br:1][c:2]1[cH:3][c:4]([CH:8]([F:9])[F:10])[cH:5][cH:6][cH:7]1.[CH2:20]([N:21]([S:22]([F:23])([F:24])[F:25])[CH2:26][CH3:27])[CH3:28].[CH2:29]([Li:30])[CH2:31][CH2:32][CH3:33].[CH3:34][N:35]([CH2:36][CH:37]([C:38]([CH2:39][CH3:40])=[O:41])[CH3:42])[CH3:43].[CH3:50][CH2:51][CH2:52][CH2:53][CH2:54][CH3:55].[ClH:44].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1>>[ClH:44].[c:2]1([C:38]([CH:37]([CH2:36][N:35]([CH3:34])[CH3:43])[CH3:42])([CH2:39][CH3:40])[OH:41])[cH:3][c:4]([CH:8]([F:9])[F:10])[cH:5][cH:6][cH:7]1